Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 6/20 | 0.47 |
| ▸ | KLK7 | P49862 | 4/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28201376 | 1.00 | CACNA1B (0.47) | CACNA1BKLK7TACR1CTSSCTSK | |
| SCHEMBL2853525 | 0.85 | MAPT (0.45) | TACR1 | |
| SCHEMBL27608994 | 0.85 | MAPT (0.45) | TACR1 | |
| SCHEMBL1486139 | 0.84 | KLK5 (0.44) | TACR1CTSSCTSKACEKLK5 | |
| SCHEMBL7276364 | 0.84 | KLK5 (0.44) | TACR1CTSSCTSKACEKLK5 | |
| SCHEMBL2474956 | 0.83 | CYP19A1 (0.39) | CACNA1B | |
| SCHEMBL214303 | 0.81 | ITGB3 (0.48) | CTSSCTSKACESCN9A | |
| SCHEMBL214302 | 0.81 | ITGB3 (0.48) | CTSSCTSKACESCN9A | |
| SCHEMBL1133305 | 0.81 | ITGB3 (0.48) | CTSSCTSKACESCN9A | |
| SCHEMBL8488194 | 0.81 | CTSS (0.39) | TACR1CTSSCTSKACE |
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 |
|---|---|---|---|---|---|---|---|
| CN-107635989-A | Benzimidizole derivatives as bromine domain inhibitor | 葛兰素史克知识产权开发有限公司 | 2018-01-26 | — | — | CN | disclosed |