Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | 0.87 | ALDH1A1 (0.42) | ALDH1A1CYP2D6SMN1; SMN2NPSR1KDM4E | |
| SCHEMBL20156038 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156005 | 0.80 | ALDH1A1 (0.33) | ALDH1A1CYP2D6SMN1; SMN2GLO1 | |
| SCHEMBL20156244 | 0.79 | CYP2D6 (0.44) | ALDH1A1CYP2D6SMN1; SMN2NPSR1KDM4E | |
| SCHEMBL20156293 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL13958022 | 0.67 | NPSR1 (0.43) | ALDH1A1CYP2D6SMN1; SMN2NPSR1KDM4E | |
| SCHEMBL14391944 | 0.67 | NPSR1 (0.43) | ALDH1A1CYP2D6SMN1; SMN2NPSR1KDM4E | |
| SCHEMBL20156243 | 0.66 | MAPT (0.41) | CYP2D6NPSR1KDM4EMAPT | |
| SCHEMBL20156072 | 0.65 | — | — | |
| SCHEMBL19403663 | 0.64 | HDAC4 (0.41) | ALDH1A1NPSR1GLO1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018089358-A1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |