Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EP300 | Q09472 | 2/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL844898 | 0.91 | ALDH1A1 (0.54) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 | |
| SCHEMBL845157 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 | |
| SCHEMBL13272434 | 0.80 | KDM4E (0.64) | ALDH1A1CYP2C9NPSR1MEN1KMT2A | |
| SCHEMBL845373 | 0.79 | ALDH1A1 (0.57) | ALDH1A1NPSR1MEN1KMT2ATSHR | |
| SCHEMBL845206 | 0.78 | CYP2C9 (0.52) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 | |
| SCHEMBL845226 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 | |
| SCHEMBL15116912 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 | |
| SCHEMBL13272444 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 | |
| SCHEMBL845111 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 | |
| SCHEMBL845205 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1HTTCYP2C9CYP2C19 |
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 |