Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 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 | |
|---|---|---|---|---|
| SCHEMBL20156326 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156241 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156302 | 0.81 | CYP2D6 (0.41) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156348 | 0.79 | CYP2D6 (0.40) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156005 | 0.75 | ALDH1A1 (0.33) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156040 | 0.74 | — | — | |
| SCHEMBL23912910 | 0.70 | NPSR1 (0.40) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL23912916 | 0.69 | MAPT (0.40) | CYP2D6 | |
| SCHEMBL20156362 | 0.68 | CYP1A2 (0.39) | CYP2D6 | |
| SCHEMBL20156293 | 0.66 | KMT2A (0.30) | — |
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 |