Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL688146 | 0.96 | CTSA (0.41) | CTSAKDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL687499 | 0.93 | CTSA (0.45) | CTSA | |
| SCHEMBL687715 | 0.91 | CTSA (0.39) | CTSAKDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL686896 | 0.90 | PTGER3 (0.44) | CTSASLC22A12 | |
| SCHEMBL29371834 | 0.90 | PTGER3 (0.44) | CTSASLC22A12 | |
| SCHEMBL688286 | 0.90 | SMN1; SMN2 (0.39) | CTSAKDM4EALDH1A1MAPK1CYP3A4 | |
| SCHEMBL686721 | 0.90 | LMNA (0.42) | CTSAKDM4EALDH1A1NPSR1MAPK1 | |
| SCHEMBL688273 | 0.90 | CTSA (0.38) | CTSAKDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL688251 | 0.89 | CTSA (0.44) | CTSAKDM4EALDH1A1MAPK1CYP3A4 | |
| SCHEMBL687851 | 0.89 | CTSA (0.38) | CTSAKDM4EALDH1A1MAPK1CYP3A4 |
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-1203766-B1 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | ENCYSIVE PHARMACEUTICALS INC (US) | 2012-02-29 | — | — | EP | disclosed |
| EP-1203766-A2 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | TEXAS BIOTECHNOLOGY CORPORATION (US) | 2002-05-08 | — | — | EP | disclosed |