Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.47 |
| ▸ | CCR2 | P41597 | 4/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL4083467 | 0.92 | ROCK2 (0.47) | ROCK2CCR2ROCK1CHRM2CHRM3 | |
| SCHEMBL7419564 | 0.88 | LTA4H (0.43) | ROCK2CCR2ROCK1CHRM2CHRM3 | |
| SCHEMBL607250 | 0.82 | ACHE (0.53) | DRD2DRD4LTA4HBCHE | |
| SCHEMBL3273178 | 0.82 | ACHE (0.53) | DRD2DRD4LTA4HBCHE | |
| SCHEMBL607249 | 0.82 | ACHE (0.53) | DRD2DRD4LTA4HBCHE | |
| SCHEMBL28817717 | 0.80 | CHRM2 (0.50) | ROCK2CCR2ROCK1CHRM2CHRM3 | |
| SCHEMBL3722397 | 0.78 | ALDH1A1 (0.55) | ROCK2CCR2ROCK1CHRM2CHRM3 | |
| SCHEMBL9846527 | 0.78 | ACHE (0.53) | ROCK2CCR2ROCK1CHRM2CHRM3 | |
| SCHEMBL10998601 | 0.78 | ACHE (0.53) | ROCK2CCR2ROCK1CHRM2CHRM3 | |
| SCHEMBL14220887 | 0.76 | CHRM2 (0.51) | ROCK2CCR2ROCK1CHRM2CHRM3 |
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-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |