Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL845450 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP2C19TRPV1MAPK1 | |
| SCHEMBL10119551 | 0.83 | DHODH (0.40) | ALDH1A1CYP2C9CYP2C19TRPV1ROCK2 | |
| SCHEMBL874324 | 0.83 | MAPK1 (0.42) | ALDH1A1CYP2C9CYP2C19TRPV1MAPK1 | |
| SCHEMBL874056 | 0.83 | TRPV1 (0.42) | ALDH1A1CYP2C9CYP2C19TRPV1MAPK1 | |
| SCHEMBL10119642 | 0.83 | HDAC3 (0.40) | ALDH1A1CYP2C9CYP2C19TRPV1ROCK2 | |
| SCHEMBL874313 | 0.82 | MAPK1 (0.50) | ALDH1A1CYP2C9CYP2C19ROCK2MAPK1 | |
| SCHEMBL10119315 | 0.81 | MAPT (0.40) | ALDH1A1CYP2C9CYP2C19KHKTRPV1 | |
| SCHEMBL10119502 | 0.81 | CYP2C9 (0.39) | ALDH1A1CYP2C9CYP2C19KHKTRPV1 | |
| SCHEMBL872532 | 0.81 | TRPV1 (0.44) | ALDH1A1CYP2C9CYP2C19TRPV1MAPK1 | |
| SCHEMBL10119344 | 0.81 | CYP2C9 (0.39) | ALDH1A1CYP2C9CYP2C19TRPV1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |