Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 3/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 7/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6182965 | 0.78 | TGFBR1 (0.46) | SMOMAPK14TGFBR1CYP2C9CYP1A2 | |
| SCHEMBL6327640 | 0.72 | TGFBR1 (0.40) | SMOMAPK14TGFBR1CYP2C9ACVR1B | |
| SCHEMBL5907466 | 0.70 | TGFBR1 (0.41) | MAPK14TGFBR1 | |
| SCHEMBL5790048 | 0.66 | TGFBR1 (0.38) | SMOMAPK14TGFBR1 | |
| SCHEMBL5956566 | 0.65 | TGFBR1 (0.52) | MAPK14TGFBR1 | |
| SCHEMBL6181800 | 0.62 | TGFBR1 (0.46) | TGFBR1CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL29348729 | 0.61 | SMN1; SMN2 (0.48) | CYP2C9CYP19A1CYP2C19KCNH2 | |
| SCHEMBL6180723 | 0.61 | TGFBR1 (0.49) | TGFBR1CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL29348730 | 0.60 | APP (0.47) | CYP2C9CYP2C19 | |
| SCHEMBL12339143 | 0.60 | TGFBR1 (0.63) | TGFBR1CYP2C9CYP1A2CYP2D6CYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1355903-B1 | PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION | SMITHKLINE BEECHAM CORP (US) | 2005-03-16 | — | — | EP | claimed |