Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RHOC | P08134 | 1/20 | 0.42 |
| ▸ | RHOA | P61586 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL845442 | 0.89 | CYP2C9 (0.43) | ALDH1A1CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL844980 | 0.86 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL845841 | 0.85 | TRPV1 (0.45) | ALDH1A1CYP2C9CYP2C19PABPC1MAPK1 | |
| SCHEMBL13272509 | 0.85 | TRPV1 (0.45) | ALDH1A1CYP2C9CYP2C19PABPC1MAPK1 | |
| SCHEMBL845640 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1NPSR1TSHR | |
| SCHEMBL845330 | 0.84 | GAA (0.47) | ALDH1A1CYP2C9CYP2C19PABPC1TSHR | |
| SCHEMBL845008 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL845651 | 0.84 | CYP2C9 (0.43) | ALDH1A1CYP2C9CYP2C19NPSR1PABPC1 | |
| SCHEMBL845433 | 0.83 | PABPC1 (0.42) | ALDH1A1CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL10119343 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2C9CYP2C19KMT2AMEN1 |
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 3 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 |
| EP-1893573-B1 | INHIBITORS OF HCV REPLICATION | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |