Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL6165108 | 1.00 | ESR1 (0.38) | ESR1ESR2FFAR1POLBSMN1; SMN2 | |
| SCHEMBL6166833 | 0.80 | ALDH1A1 (0.46) | SMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL17512517 | 0.79 | ESR1 (0.42) | ESR1ESR2POLBTDP1ALDH1A1 | |
| SCHEMBL6164927 | 0.75 | GABRP (0.39) | FFAR1POLBSMN1; SMN2TDP1GABRP | |
| SCHEMBL6164930 | 0.75 | GABRP (0.39) | FFAR1POLBSMN1; SMN2TDP1GABRP | |
| SCHEMBL26814286 | 0.75 | ESR1 (0.39) | ESR1ESR2POLBTDP1ALDH1A1 | |
| SCHEMBL27680611 | 0.75 | ESR1 (0.35) | ESR1ESR2SMN1; SMN2ALDH1A1ADRA2A | |
| SCHEMBL1624374 | 0.73 | CPB2 (0.39) | ESR1ESR2CPB2 | |
| SCHEMBL5691985 | 0.73 | FFAR1 (0.59) | FFAR1POLBSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL5422163 | 0.73 | GRM5 (0.45) | SMN1; SMN2ALDH1A1 |
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 | ESR1 1059/4885ESR2 413/4885FFAR1 84/4885 |
“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.