Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4549798 | 0.88 | THRA (0.41) | THRATHRBESR1MAOBRAB9A | |
| SCHEMBL2601407 | 0.85 | MAOB (0.41) | THRATHRBMAOAMAOBRAB9A | |
| SCHEMBL12997699 | 0.83 | CNR2 (0.40) | THRATHRBMAOAMAOBRAB9A | |
| SCHEMBL2601701 | 0.81 | MAOB (0.45) | MAOAMAOBRAB9ANPC1CASP1 | |
| SCHEMBL17928516 | 0.78 | MAOB (0.42) | MAOAMAOBRAB9ANPC1CASP1 | |
| SCHEMBL754349 | 0.78 | LMNA (0.50) | THRATHRBMAOAMAOBRAB9A | |
| SCHEMBL10238627 | 0.78 | TP53 (0.33) | MAOAMAOBRAB9ANPC1CASP1 | |
| SCHEMBL14535871 | 0.75 | L3MBTL1 (0.40) | RAB9ANPC1SMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL4549708 | 0.75 | MAOA (0.39) | MAOAMAOBRAB9ANPC1CASP1 | |
| SCHEMBL4545465 | 0.73 | GAA (0.35) | SMN1; SMN2KDM4EMAPTL3MBTL1ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170066754-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2017-03-09 | — | — | US | disclosed |
| US-9572813-B2 | Antiviral agent | SHIONOGI & CO., LTD. (JP) | 2017-02-21 | — | — | US | disclosed |
| US-20150202208-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2015-07-23 | — | — | US | disclosed |
| EP-2540720-B1 | 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2015-04-15 | — | — | EP | disclosed |
| EP-2540720-A1 | 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2013-01-02 | — | — | EP | disclosed |
| US-20120108564-A1 | 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2012-05-03 | — | — | US | disclosed |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2008-07-03 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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-20120108564-A1 | 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor | IMPDH1, IMPA1, DPYD | THRA 3648/4885THRB 3605/4885ESR1 3665/4885 |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | DNTT, PNP, NNMT | THRA 4656/4885THRB 4483/4885ESR1 1393/4885 |
| US-20150202208-A1 | ANTIVIRAL AGENT | ZC3HAV1, ZC3HAV1L, CCNI | THRA 3617/4885THRB 3798/4885ESR1 1135/4885 |
| US-20170066754-A1 | ANTIVIRAL AGENT | ZC3HAV1, ZC3HAV1L, CCNI | THRA 3617/4885THRB 3798/4885ESR1 1135/4885 |
“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.