Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | DHODH | Q02127 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20156348 | 0.93 | CYP2D6 (0.40) | CYP2D6ALDH1A1SMN1; SMN2GLO1NPSR1 | |
| SCHEMBL20156038 | 0.81 | ALDH1A1 (0.36) | CYP2D6ALDH1A1SMN1; SMN2GLO1 | |
| SCHEMBL20156244 | 0.78 | CYP2D6 (0.44) | CYP2D6ALDH1A1SMN1; SMN2GLO1NPSR1 | |
| SCHEMBL23912910 | 0.76 | NPSR1 (0.40) | CYP2D6ALDH1A1SMN1; SMN2GLO1NPSR1 | |
| SCHEMBL23912916 | 0.75 | MAPT (0.40) | CYP2D6NPSR1GAADHODHMAPT | |
| SCHEMBL20156362 | 0.73 | CYP1A2 (0.39) | CYP2D6MAPTCYP1A2CYP3A4MAPK1 | |
| SCHEMBL20156365 | 0.71 | MAPT (0.39) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GAA | |
| SCHEMBL20156006 | 0.70 | ALDH1A1 (0.39) | CYP2D6ALDH1A1SMN1; SMN2GLO1NPSR1 | |
| SCHEMBL21357748 | 0.64 | CYP2C9 (0.44) | CYP2D6ALDH1A1SMN1; SMN2GLO1NPSR1 | |
| SCHEMBL21357749 | 0.64 | CYP2C9 (0.44) | CYP2D6ALDH1A1SMN1; SMN2GLO1NPSR1 |
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-2018089358-A1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |