Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | TGFBR2 | P37173 | 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 | |
|---|---|---|---|---|
| SCHEMBL8888361 | 0.95 | CYP1A2 (0.50) | CYP1A2AKR1B1NOTUMHPGDHTR7 | |
| SCHEMBL8889484 | 0.87 | CYP1A2 (0.53) | CYP1A2AKR1B1HPGDGRM5IDO1 | |
| SCHEMBL8888295 | 0.82 | CYP1A2 (0.53) | CYP1A2HPGDATMGRM5MAPK11 | |
| SCHEMBL4048920 | 0.81 | CYP1A2 (0.62) | CYP1A2AKR1B1NOTUMAHRIDO1 | |
| Bromide SCHEMBL11739258 | 0.80 | CYP1A2 (0.61) | CYP1A2AKR1B1NOTUMAHRIDO1 | |
| SCHEMBL8887885 | 0.80 | CYP1A2 (0.50) | CYP1A2NOTUMHPGDHTR7IDO1 | |
| SCHEMBL8890194 | 0.80 | CYP1A2 (0.50) | CYP1A2HPGDMAPK11MAPK14GPR119 | |
| SCHEMBL8887621 | 0.80 | CYP1A2 (0.50) | CYP1A2NOTUMHPGDHTR7MAPK14 | |
| SCHEMBL8889663 | 0.77 | CYP1A2 (0.47) | CYP1A2AKR1B1NOTUMHPGDIDO1 | |
| SCHEMBL8886941 | 0.77 | NR1H2 (0.49) | CYP1A2NOTUMHPGDMAPK11MAPK14 |
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-1997001551-A1 | PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-16 | — | — | WO | disclosed |