Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20156039 | 0.82 | SUCNR1 (0.38) | MAPK1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL20156365 | 0.75 | MAPT (0.39) | MAPK1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL20156292 | 0.72 | MAPT (0.39) | MAPK1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL20156361 | 0.68 | NQO2 (0.30) | ALDH1A1 | |
| SCHEMBL12895010 | 0.66 | ALDH1A1 (0.40) | KDM4EALDH1A1 | |
| SCHEMBL20156300 | 0.66 | KDM4E (0.35) | MAPTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL21281669 | 0.64 | ELANE (0.35) | MAPK1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL28912380 | 0.64 | TSHR (0.52) | MAPTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL23912916 | 0.64 | MAPT (0.40) | MAPK1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL21281665 | 0.64 | ALDH1A1 (0.41) | CYP3A4MAPTCYP2C19KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538527-B1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-10-13 | — | — | EP | disclosed |
| WO-2018089358-A1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |