Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4508929 | 0.81 | HRH3 (0.60) | HRH3ITGB3ITGA2BNFE2L2HPGD | |
| SCHEMBL4512473 | 0.80 | HRH3 (0.53) | HRH3ITGB3ITGA2BNFE2L2HPGD | |
| SCHEMBL4514398 | 0.79 | HRH3 (0.60) | HRH3ITGB3ITGA2BNFE2L2HPGD | |
| SCHEMBL10744094 | 0.77 | HRH3 (0.58) | HRH3ITGB3ITGA2BNFE2L2 | |
| SCHEMBL4516837 | 0.75 | ITGB3 (0.54) | HRH3ITGB3ITGA2BNFE2L2HPGD | |
| SCHEMBL2686941 | 0.75 | S1PR1 (0.67) | S1PR1 | |
| SCHEMBL23322380 | 0.74 | PTGES2 (0.44) | — | |
| SCHEMBL355314 | 0.74 | SIGMAR1 (0.47) | — | |
| SCHEMBL8322595 | 0.74 | SIGMAR1 (0.47) | — | |
| SCHEMBL15891121 | 0.74 | S1PR1 (0.67) | HRH3S1PR1ITGB3ITGA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572628-B1 | ISOPHTALIC ACID DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2007-07-25 | — | — | EP | disclosed |
| EP-1572628-A1 | ISOPHTALIC ACID DERIVATIVES | Bayer HealthCare AG (DE) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004052839-A1 | ISOPHTALIC ACID DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2004-06-24 | — | — | WO | disclosed |