Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MPL | P40238 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | BUB1 | O43683 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348223 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL14262943 | 0.77 | TGFBR1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27998656 | 0.73 | MAPK10 (0.56) | MPLKMT2AMEN1AURKAKDR | |
| SCHEMBL8344338 | 0.73 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL4630887 | 0.72 | GSK3A (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19GSK3A | |
| SCHEMBL28296096 | 0.71 | NPC1 (0.50) | CYP1A2CYP3A4MPLTSHRKMT2A | |
| SCHEMBL12090607 | 0.70 | ACP1 (0.61) | CYP1A2CYP3A4MPLGSK3A | |
| Hydrochloric Acid SCHEMBL7857018 | 0.70 | GSK3A (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19GSK3A | |
| SCHEMBL8346915 | 0.69 | MPL (0.49) | CYP1A2CYP3A4CYP2D6MPLUSP2 | |
| SCHEMBL31355479 | 0.69 | KMT2A (0.57) | ALDH1A1TSHRKMT2AMEN1GSK3A |
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 |