Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SUCNR1 | Q9BXA5 | 11/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | OXGR1 | Q96P68 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20156362 | 0.95 | CYP1A2 (0.39) | MAPTCYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL20156079 | 0.90 | SUCNR1 (0.38) | SUCNR1MEN1KMT2AKDM4EOXGR1 | |
| SCHEMBL20156365 | 0.88 | MAPT (0.39) | MAPTCYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL20156243 | 0.85 | MAPT (0.41) | MAPTCYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL20156367 | 0.84 | SUCNR1 (0.41) | SUCNR1OXGR1BDKRB1 | |
| SCHEMBL20156007 | 0.80 | CYP1A2 (0.40) | MAPTCYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL20156039 | 0.78 | SUCNR1 (0.38) | MAPTCYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL23912908 | 0.78 | NPC1 (0.34) | MAPK1SUCNR1MEN1KMT2AKDM4E | |
| SCHEMBL20156361 | 0.77 | NQO2 (0.30) | — | |
| SCHEMBL20156279 | 0.77 | SUCNR1 (0.37) | SUCNR1OXGR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538527-B1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-10-13 | — | — | EP | disclosed |