Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29226009 | 0.90 | CYP1A2 (0.54) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL31301795 | 0.89 | CYP1A2 (0.55) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL1294363 | 0.86 | MGAM (0.44) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL10602600 | 0.86 | MGAM (0.44) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL335034 | 0.86 | MGAM (0.44) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL27424409 | 0.86 | CYP1A2 (0.50) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL2582072 | 0.85 | GAA (0.52) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL11379626 | 0.84 | CYP1A2 (0.53) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| Hydrochloric Acid SCHEMBL335033 | 0.84 | MGAM (0.43) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A | |
| SCHEMBL27648953 | 0.84 | MGAM (0.43) | CYP1A2L3MBTL1ALDH1A1TRPA1KMT2A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090118233-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | MURAI HITOSHI | 2009-05-07 | — | — | US | disclosed |
| EP-2045242-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | Shionogi&Co., Ltd. (JP) | 2009-04-08 | — | — | EP | disclosed |
| EP-1541558-B1 | HETEROCYCLIC COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7358249-B2 | Heterocyclic compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2008-04-15 | — | — | US | disclosed |
| US-20060247212-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | MURAI HITOSHI | 2006-11-02 | — | — | US | disclosed |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | SHIONOGI & CO., LTD. (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1541558-A1 | HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-0542708-B1 | Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors | MONSANTO CO (US) | 2001-05-30 | — | — | EP | disclosed |
| US-5973003-A | TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS | G. D. SEARLE & CO. (US) | 1999-10-26 | — | — | US | disclosed |
| US-5703125-A | MELT BLEND OF SOAP, SURFACTANT AND SOLVENT | G. D. SEARLE & CO. (US) | 1997-12-30 | — | — | US | disclosed |
| EP-0614360-B1 | SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS | SEARLE & CO (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0614360-A1 | SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. | SEARLE & CO (US) | 1994-09-14 | — | — | EP | disclosed |
| US-5344957-A | Amidinoiphenyl-substituted | G.D. SEARLE & CO. (US) | 1994-09-06 | — | — | US | disclosed |
| US-5239113-A | Anticoagulants | MONSANTO COMPANY (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0542708-A1 | Substituted B-amino acid derivatives useful as platelet aggregation inhibitors | MONSANTO COMPANY (US) | 1993-05-19 | — | — | EP | disclosed |
| WO-1993007867-A1 | SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1993-04-29 | — | — | WO | disclosed |
| US-4165329-A | CARBOXYLATED UREA METAL SALTS | CHEVRON RESEARCH COMPANY (US) | 1979-08-21 | — | — | 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-20090118233-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | CYP3A7, CDK7, CYP2A7 | CYP1A2 45/4885L3MBTL1 398/4885ALDH1A1 381/4885 |
| US-20060247212-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | CYP3A7, CDK7, CYP2A7 | CYP1A2 45/4885L3MBTL1 391/4885ALDH1A1 370/4885 |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | CYP3A7, CDK7, CYP2A7 | CYP1A2 45/4885L3MBTL1 398/4885ALDH1A1 381/4885 |
“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.