Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | USP2 | O75604 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | BUB1 | O43683 | 2/20 | 0.53 |
| ▸ | AURKA | O14965 | 3/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8344338 | 0.89 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8345893 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8347442 | 0.84 | BUB1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8348278 | 0.83 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8345329 | 0.82 | TGFBR1 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8346049 | 0.78 | ABCG2 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL16392231 | 0.76 | ABCB1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8345669 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL18114578 | 0.75 | KDR (0.60) | MAPK1CHEK1PDPK1CHEK2PRKCG | |
| SCHEMBL28296096 | 0.72 | NPC1 (0.50) | CYP1A2CYP3A4TSHRKMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004024159-A1 | INHIBITORS OF TFGβ | SCIOS INC. (US) | 2004-03-25 | — | — | WO | disclosed |