Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 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 | |
|---|---|---|---|---|
| SCHEMBL7380577 | 0.88 | CTSL (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7410384 | 0.88 | ITGB3 (0.54) | CA12CA1CA2CA9CTSL | |
| SCHEMBL7375597 | 0.87 | CA12 (0.48) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7380932 | 0.87 | RHOC (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7409607 | 0.86 | ITGB3 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7466494 | 0.85 | ITGB3 (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7382271 | 0.84 | ITGB3 (0.48) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7382388 | 0.84 | ITGB1 (0.56) | POLBHPGDRAB9AKMT2AMAPT | |
| SCHEMBL7382395 | 0.84 | ITGB1 (0.56) | POLBHPGDRAB9AKMT2AMAPT | |
| SCHEMBL8432577 | 0.83 | POLB (0.45) | CA12CA1CA2CA9ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0891325-A1 | PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-01-20 | — | — | EP | claimed |
| WO-1997036859-A1 | PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | claimed |