Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 6/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5725106 | 0.85 | POLB (0.60) | POLBMAPTGAACYP2D6TP53 | |
| SCHEMBL5219832 | 0.74 | TSHR (0.44) | TACR1CYP2D6CYP1A2CYP3A4TSHR | |
| SCHEMBL14334755 | 0.73 | TACR1 (0.44) | MAPTTACR1CYP2D6DAO | |
| SCHEMBL20467130 | 0.71 | IDO1 (0.45) | TACR1NOS3NOS1CYP3A4DAO | |
| SCHEMBL4513715 | 0.70 | POLB (1.00) | POLBGAACYP2D6TP53CYP2C19 | |
| SCHEMBL16726983 | 0.70 | IDO1 (0.42) | TACR1CYP2D6CYP1A2CYP3A4TSHR | |
| SCHEMBL14453586 | 0.70 | GAA (0.50) | POLBMAPTGAADAOL3MBTL1 | |
| SCHEMBL804895 | 0.70 | GAA (0.43) | MAPTTACR1GAAALDH1A1 | |
| SCHEMBL2895602 | 0.70 | KMT2A (0.47) | MAPTTACR1NOS3NOS1TP53 | |
| SCHEMBL2376297 | 0.70 | IDO1 (0.44) | TACR1CYP2D6CYP1A2CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012175434-A1 | PHARMACEUTICAL FORMULATIONS COMPRISING VESTIPITANT | GLAXO GROUP LIMITED (GB) | 2012-12-27 | — | — | WO | disclosed |