Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PPIB | P23284 | 1/20 | 0.41 |
| ▸ | PPIA | P62937 | 1/20 | 0.41 |
| ▸ | PPID | Q08752 | 1/20 | 0.41 |
| ▸ | PPIG | Q13427 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TNF | P01375 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
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 | 0.80 | ESR1 (0.38) | ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL6165110 | 0.80 | ESR1 (0.38) | ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL22335911 | 0.80 | CYP4F2 (0.51) | ALDH1A1KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL27582427 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KDM4EHTTPPIBPPIA | |
| SCHEMBL5670458 | 0.77 | ALDH1A1 (0.62) | ALDH1A1KDM4EHTTPPIBPPIA | |
| SCHEMBL5691331 | 0.77 | ALDH1A1 (0.62) | ALDH1A1KDM4EHTTPPIBPPIA | |
| SCHEMBL2432552 | 0.77 | LMNA (0.42) | ALDH1A1KDM4EHTTPPIBPPIA | |
| SCHEMBL27465447 | 0.77 | CYP1A2 (0.42) | ALDH1A1KDM4EHTTPPIBPPIA | |
| SCHEMBL5155163 | 0.75 | CYP1A2 (0.41) | ALDH1A1KDM4EHTTPPIBPPIA | |
| SCHEMBL11885877 | 0.73 | PARP10 (0.40) | ALDH1A1KDM4EHTTSMN1; SMN2MAPT |
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 6 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 |
| CN-1350534-A | Substituted bicyclic heteroaryl compounds as integrin antagonists | AVENTIS PHARMA LTD (GB) | 2002-05-22 | — | — | CN | 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 | ALDH1A1 667/4885KDM4E 2729/4885HTT 4496/4885 |
“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.