Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18248181 | 0.90 | HCAR2 (0.53) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL18248023 | 0.86 | MAOB (0.50) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL18248199 | 0.86 | RAB9A (0.51) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL18248164 | 0.86 | HCAR2 (0.49) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL4076761 | 0.84 | KMT2A (0.58) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL19066722 | 0.84 | HCAR2 (0.47) | HCAR2LMNAAKR1B10AKR1B1CA12 | |
| SCHEMBL9001891 | 0.83 | HCAR2 (0.61) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL9650418 | 0.83 | HCAR2 (0.61) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL6133091 | 0.83 | HCAR2 (0.61) | HCAR2LMNAALDH1A1AKR1B10AKR1B1 | |
| SCHEMBL290693 | 0.83 | MAPT (0.51) | HCAR2LMNAALDH1A1L3MBTL1KMT2A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024020159-A1 | MACROCYCLIC PEPTIDES TARGETING KRAS | MERCK SHARP & DOHME LLC (US) | 2024-01-25 | — | — | WO | disclosed |
| CN-109678859-B | Dihydropyrimidine compound and application thereof in medicine | 广东东阳光药业有限公司 | 2020-12-29 | — | — | CN | disclosed |
| EP-1415986-B1 | SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | BANYU PHARMA CO LTD (JP) | 2009-04-08 | — | — | EP | disclosed |
| EP-2042502-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2009-04-01 | — | — | EP | disclosed |
| EP-1544199-B1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2008-07-03 | — | — | US | disclosed |
| CN-101128421-A | Methods and compositions for treating amyloid-related diseases | NEUROCHEM INTERNAT LTD (CH) | 2008-02-20 | — | — | CN | disclosed |
| US-7211572-B2 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-05-01 | — | — | US | disclosed |
| US-7205417-B2 | Spiro compounds | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-04-17 | — | — | US | disclosed |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2006-03-09 | — | — | US | disclosed |
| EP-1544199-A1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-06-22 | — | — | EP | disclosed |
| US-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | 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 (3 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-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | NNMT, PNP, DNTT | HCAR2 4783/4885LMNA 3234/4885ALDH1A1 2068/4885 |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | NNMT, PNP, DNTT | HCAR2 4783/4885LMNA 3234/4885ALDH1A1 2068/4885 |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | DNTT, PNP, NNMT | HCAR2 4755/4885LMNA 2372/4885ALDH1A1 1706/4885 |
“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.