Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10982413 | 0.75 | CES1 (0.47) | ALDH1A1TSHRCES1KCNN4MAPK1 | |
| SCHEMBL1150460 | 0.75 | CES1 (0.47) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL11686122 | 0.75 | CES1 (0.47) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL28268336 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL914885 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL8625077 | 0.74 | CA1 (0.44) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL1357868 | 0.73 | MAPK1 (0.48) | ALDH1A1TSHRCES1KCNN4MAPK1 | |
| SCHEMBL14816145 | 0.73 | MAPK1 (0.48) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL8646916 | 0.73 | CA1 (0.47) | ALDH1A1TSHRCES1KCNN4PTPN1 | |
| SCHEMBL17078011 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TSHRKCNN4PTPN1MAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3456721-B1 | METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY | SHIONOGI & CO (JP) | 2021-02-24 | — | — | EP | disclosed |
| EP-3456721-A2 | METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY | Shionogi & Co., Ltd (JP) | 2019-03-20 | — | — | EP | disclosed |
| EP-3127908-B1 | PROCESS FOR PREPARING COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2018-11-28 | — | — | EP | disclosed |
| US-10125146-B2 | Crystalline methyl (4R,12aS)-7-(benzyloxy)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylate | SHIONOGI & CO., LTD. (JP) | 2018-11-13 | — | — | US | disclosed |
| US-10125147-B2 | Crystalline methyl (4R,12aS)-7-(benzyloxy)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylate | SHIONOGI & CO., LTD. (JP) | 2018-11-13 | — | — | US | disclosed |
| US-10000508-B2 | Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate | SHIONOGI & CO., LTD (JP) | 2018-06-19 | — | — | US | disclosed |
| US-9969750-B2 | Method of producing (3S,11aR)-6,8-dihalo-3-methyl-2,3,11,11a-tetrahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-5,7-diones | SHIONOGI AND CO., LTD. (JP) | 2018-05-15 | — | — | US | disclosed |
| US-20180044351-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-15 | — | — | US | disclosed |
| US-20180037593-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |
| US-20180037591-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |
| US-9321789-B2 | Methods of producing substituted (4R,12AS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-B][1,3]oxazine-9-carboxamides | SHINOGI & CO., LTD. (JP) | 2016-04-26 | — | — | US | disclosed |
| US-9260453-B2 | Method for producing pyrone and pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2016-02-16 | — | — | US | disclosed |
| US-20160002211-A1 | METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2016-01-07 | — | — | US | disclosed |
| US-20150038702-A1 | Method of producing compounds having HIV integrase inhivitory activity | SHINOGI & CO., LTD. (JP) | 2015-02-05 | — | — | US | disclosed |
| US-20150031876-A1 | METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2015-01-29 | — | — | US | disclosed |
| US-8865907-B2 | Method of producing pyrone and pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2014-10-21 | — | — | US | disclosed |
| US-20140011995-A1 | Process for Preparing Compound Having HIV Integrase Inhibitory Activity | SHINOGI & CO., LTD (JP) | 2014-01-09 | — | — | US | disclosed |
| EP-2602260-A1 | PROCESS FOR PREPARING COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2013-06-12 | — | — | EP | disclosed |
| EP-2412709-A1 | PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES | Shionogi & Co., Ltd. (JP) | 2012-02-01 | — | — | EP | disclosed |
| US-20120022251-A1 | METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2012-01-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10125146-B2 | Crystalline methyl (4R,12aS)-7-(benzyloxy)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylate | H1-4, CYP4Z1, H1-2 | ALDH1A1 100/4885TSHR 2453/4885CES1 3617/4885 |
| US-20150038702-A1 | Method of producing compounds having HIV integrase inhivitory activity | XDH, IMPDH1, IMPA1 | ALDH1A1 2362/4885TSHR 3000/4885CES1 2141/4885 |
| US-10125147-B2 | Crystalline methyl (4R,12aS)-7-(benzyloxy)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylate | PYM1, DRD4, MBD2 | ALDH1A1 1457/4885TSHR 613/4885CES1 3685/4885 |
| US-20150031876-A1 | METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES | PNPO, PDXK, CYP3A5 | ALDH1A1 2038/4885TSHR 2908/4885CES1 2092/4885 |
| US-20120022251-A1 | METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES | PNPO, PDXK, CYP3A5 | ALDH1A1 2121/4885TSHR 2862/4885CES1 2250/4885 |
| US-20180044351-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | CYP3A4, DRD4, CCND2 | ALDH1A1 2086/4885TSHR 3561/4885CES1 1720/4885 |
| US-10000508-B2 | Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate | DPYD, ODC1, PKD1 | ALDH1A1 310/4885TSHR 4553/4885CES1 2681/4885 |
| US-20140011995-A1 | Process for Preparing Compound Having HIV Integrase Inhibitory Activity | DRD4, XDH, CCND2 | ALDH1A1 3180/4885TSHR 2537/4885CES1 2276/4885 |
| US-20180037593-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | XDH, DRD4, PYM1 | ALDH1A1 2776/4885TSHR 2509/4885CES1 2023/4885 |
| US-20160002211-A1 | METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES | PNPO, PDXK, CYP3A5 | ALDH1A1 2121/4885TSHR 2862/4885CES1 2250/4885 |
| US-20180037591-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | XDH, DRD4, PYM1 | ALDH1A1 2776/4885TSHR 2509/4885CES1 2023/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.