Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 2/20 | 0.37 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 8/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.37 |
| ▸ | ESRRA | P11474 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720881 | 0.91 | CACNA1I (0.43) | LIMK1LIMK2ROCK2AKT1AKT2 | |
| SCHEMBL3720878 | 0.91 | CACNA1I (0.43) | LIMK1LIMK2ROCK2AKT1AKT2 | |
| SCHEMBL13191246 | 0.83 | BDKRB1 (0.37) | P2RX7CACNA1I | |
| SCHEMBL13191628 | 0.82 | BDKRB1 (0.45) | — | |
| SCHEMBL3722862 | 0.82 | P2RX7 (0.43) | MAPK10MAPK8ESRRAP2RX7 | |
| SCHEMBL3729328 | 0.81 | BDKRB1 (0.36) | LIMK1LIMK2 | |
| SCHEMBL3722367 | 0.81 | BDKRB1 (0.46) | — | |
| SCHEMBL3719008 | 0.80 | P2RX7 (0.43) | AKT2MAPK10MAPK8ESRRAP2RX7 | |
| Trifluoroacetic Acid SCHEMBL3718216 | 0.77 | CNR1 (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL3725905 | 0.77 | P2RX7 (0.41) | MAPK10MAPK8ESRRAP2RX7 |
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-2010097373-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |