Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | NR1D1 | P20393 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CFD | P00746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL221788 | 0.88 | MTNR1A (0.53) | MTNR1AMTNR1BALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17312333 | 0.84 | GAA (0.47) | ALDH1A1CYP4F2CYP4A11CCR5CYP1A2 | |
| SCHEMBL4034078 | 0.84 | GAA (0.47) | ALDH1A1CYP4F2CYP4A11CCR5CYP1A2 | |
| SCHEMBL20424463 | 0.83 | MTNR1A (0.46) | MTNR1AMTNR1BALDH1A1HTTNR1D1 | |
| SCHEMBL6162414 | 0.83 | CYP4F2 (0.41) | ALDH1A1HTTCYP4F2CYP4A11CCR5 | |
| SCHEMBL13172182 | 0.82 | ATM (0.44) | MTNR1AMTNR1BALDH1A1HTTNR1D1 | |
| SCHEMBL9558321 | 0.80 | POLB (0.46) | MTNR1AMTNR1BALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL5690678 | 0.79 | MAPT (0.38) | MTNR1AMTNR1BALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL5691010 | 0.78 | MTNR1A (0.39) | MTNR1AMTNR1BALDH1A1HTTCYP4F2 | |
| SCHEMBL4019954 | 0.77 | ALDH1A1 (0.44) | MTNR1AMTNR1BALDH1A1NR1D1CYP1A2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153017-B1 | BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS | AVENTIS PHARMA LTD (GB) | 2006-05-03 | — | — | EP | disclosed |
| EP-1183254-B1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | AVENTIS PHARMA LTD (GB) | 2005-01-12 | — | — | EP | disclosed |
| US-6706738-B2 | ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS | AVENTIS PHARMA LIMITED (GB) | 2004-03-16 | — | — | US | disclosed |
| US-6593354-B2 | Amide substituted benzimidazole or benzoxazole; regulating the interaction of vascular cell adhesion molecule-1 and fibronectin with the integrin vascular cell adhesion molecule very late antigen-4 | AVENTIS PHARMA LIMITED (GB) | 2003-07-15 | — | — | US | disclosed |
| US-20020173506-A1 | Substituted bicyclic heteroaryl compounds and their use as integrin antagonists | AVENTIS PHARMA LIMITED (GB) | 2002-11-21 | — | — | US | disclosed |
| US-20020137782-A1 | Substituted bicyclic compounds | AVENTIS PHARMA LIMITED (GB) | 2002-09-26 | — | — | US | disclosed |
| EP-1183254-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | Aventis Pharma Limited (GB) | 2002-03-06 | — | — | EP | disclosed |
| EP-1153017-A1 | BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS | Aventis Pharma Limited (GB) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000061580-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | AVENTIS PHARMA LIMITED (GB) | 2000-10-19 | — | — | WO | disclosed |
| WO-2000049005-A1 | BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS | AVENTIS PHARMA LIMITED (GB) | 2000-08-24 | — | — | WO | 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 (2 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-20020173506-A1 | Substituted bicyclic heteroaryl compounds and their use as integrin antagonists | VCAM1, ITGA4, ITGA1 | MTNR1A 348/4885MTNR1B 438/4885ALDH1A1 667/4885 |
| US-20020137782-A1 | Substituted bicyclic compounds | ITGA1, VCAM1, ITGB1 | MTNR1A 874/4885MTNR1B 1279/4885ALDH1A1 157/4885 |
“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.