Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL845367 | 0.91 | ALDH1A1 (0.47) | ALDH1A1POLBCYP2C9CYP2C19MEN1 | |
| SCHEMBL10119551 | 0.82 | DHODH (0.40) | ALDH1A1SCN9APOLBSCN3ASCN5A | |
| SCHEMBL872532 | 0.82 | TRPV1 (0.44) | ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL873223 | 0.81 | RHOC (0.43) | SCN9ASCN3ASCN5AMEN1KMT2A | |
| SCHEMBL872886 | 0.80 | KDM4E (0.52) | ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL874324 | 0.80 | MAPK1 (0.42) | ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL10119294 | 0.80 | ITGB3 (0.41) | ALDH1A1SCN9ASCN3A | |
| SCHEMBL874056 | 0.80 | TRPV1 (0.42) | ALDH1A1CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL871556 | 0.80 | CYP2C9 (0.38) | ALDH1A1SCN9ASCN3ASCN5ACYP2C9 | |
| SCHEMBL874313 | 0.79 | MAPK1 (0.50) | ALDH1A1CYP2C9CYP2C19MEN1KMT2A |
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 2 patents. 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 |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |