Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL20156241 | 0.87 | ALDH1A1 (0.38) | ALDH1A1CYP2D6SMN1; SMN2GLO1GAA | |
| SCHEMBL20156038 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156005 | 0.82 | ALDH1A1 (0.33) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156293 | 0.75 | KMT2A (0.30) | KMT2A | |
| SCHEMBL12163006 | 0.71 | GLO1 (0.50) | ALDH1A1CYP2D6SMN1; SMN2GLO1GAA | |
| SCHEMBL20156072 | 0.69 | — | — | |
| SCHEMBL21863420 | 0.68 | GLO1 (0.43) | ALDH1A1CYP2D6SMN1; SMN2GLO1GAA | |
| SCHEMBL24007254 | 0.65 | CYP2D6 (0.54) | ALDH1A1CYP2D6SMN1; SMN2GLO1GAA | |
| SCHEMBL11608944 | 0.65 | FAAH (0.45) | ALDH1A1SMN1; SMN2GLO1GAAMAPT | |
| SCHEMBL135497 | 0.65 | LMNA (0.44) | ALDH1A1GAAMAPTLMNAKDM4E |
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 |