Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SUCNR1 | Q9BXA5 | 11/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | OXGR1 | Q96P68 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20156289 | 0.94 | SUCNR1 (0.41) | CYP1A2CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL20156292 | 0.86 | MAPT (0.39) | CYP1A2CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL20156243 | 0.83 | MAPT (0.41) | CYP1A2CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL23912916 | 0.80 | MAPT (0.40) | CYP1A2CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL20156254 | 0.78 | SUCNR1 (0.39) | SUCNR1ALDH1A1OXGR1PDE10AMEN1 | |
| SCHEMBL20156039 | 0.76 | SUCNR1 (0.38) | CYP1A2CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL20156009 | 0.75 | CXCR4 (0.47) | — | |
| SCHEMBL20156362 | 0.75 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL20156307 | 0.74 | SUCNR1 (0.40) | SUCNR1ALDH1A1OXGR1PDE10AMEN1 | |
| SCHEMBL20156316 | 0.74 | SUCNR1 (0.39) | SUCNR1ALDH1A1OXGR1PDE10AMEN1 |
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 |