Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | EP300 | Q09472 | 1/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL845618 | 0.95 | MAPK1 (0.56) | ALDH1A1MAPK1CYP2C9CYP2C19MEN1 | |
| SCHEMBL13272444 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP2C9CYP2C19HTT | |
| SCHEMBL845226 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP2C9CYP2C19HTT | |
| SCHEMBL1030175 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP2C9CYP2C19HTT | |
| SCHEMBL845205 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP2C9CYP2C19HTT | |
| SCHEMBL845111 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP2C9CYP2C19HTT | |
| SCHEMBL15116912 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP2C9CYP2C19HTT | |
| SCHEMBL845353 | 0.88 | KDM4E (0.52) | ALDH1A1MAPK1CYP2C9CYP2C19NPSR1 | |
| SCHEMBL845567 | 0.87 | ALDH1A1 (0.50) | ALDH1A1MAPK1CYP2C9CYP2C19NPSR1 | |
| SCHEMBL845305 | 0.86 | GAA (0.58) | ALDH1A1MAPK1CYP2C9CYP2C19KMT2A |
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 |