Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.36 |
| ▸ | C1R | P00736 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GALK1 | P51570 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IL6 | P05231 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6164188 | 0.91 | ITGA4 (0.39) | ITGA4AURKAITGB1GALK1MAPT | |
| SCHEMBL6163435 | 0.90 | ITGA4 (0.38) | ITGA4ITGB1MAPT | |
| SCHEMBL6166106 | 0.90 | CSNK1D (0.42) | NPC1RAB9AITGA4RAF1BRAF | |
| SCHEMBL6164611 | 0.90 | CSNK1D (0.42) | NPC1RAB9AITGA4RAF1BRAF | |
| SCHEMBL6164515 | 0.89 | ITGA4 (0.38) | RAB9AITGA4AURKAITGB1ALDH1A1 | |
| SCHEMBL6163937 | 0.89 | ITGA4 (0.41) | ITGA4ITGB1MAPTIL6STAT3 | |
| SCHEMBL6162941 | 0.86 | ITGA4 (0.38) | ITGA4ITGB1MAPTIL6STAT3 | |
| SCHEMBL6166076 | 0.85 | IL6 (0.36) | ITGA4RAF1BRAFMAPTIL6 | |
| SCHEMBL6161780 | 0.85 | NPC1 (0.40) | NPC1RAB9AITGA4RAF1BRAF | |
| SCHEMBL6165942 | 0.84 | NPC1 (0.40) | NPC1RAB9AITGA4RAF1BRAF |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20020173506-A1 | Substituted bicyclic heteroaryl compounds and their use as integrin antagonists | AVENTIS PHARMA LIMITED (GB) | 2002-11-21 | — | — | US | disclosed |
| EP-1183254-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | Aventis Pharma Limited (GB) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000061580-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS | AVENTIS PHARMA LIMITED (GB) | 2000-10-19 | — | — | 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 (1 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 | NPC1 1419/4885RAB9A 3747/4885ITGA4 2/4885 |
“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.