Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.44 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.44 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MGMT | P16455 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 5/20 | 0.42 |
| ▸ | PNP | P00491 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 4/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18704056 | 0.75 | PARP1 (0.42) | PDPK1ALDH1A1PNPPARP1BCAT2 | |
| SCHEMBL320850 | 0.74 | PDPK1 (0.66) | DPP4PDPK1GDAMAP3K5MGMT | |
| SCHEMBL17827245 | 0.73 | ALDH1A1 (0.47) | PDPK1ALDH1A1CDK2PARP1BCAT2 | |
| SCHEMBL26175667 | 0.71 | XDH (0.50) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL10549158 | 0.70 | PARP1 (0.45) | PDPK1ALDH1A1PARP1CYP1A2 | |
| SCHEMBL20187473 | 0.68 | PARP1 (0.40) | PDPK1ALDH1A1PARP1 | |
| SCHEMBL18742201 | 0.68 | PARP1 (0.42) | PDPK1ALDH1A1PARP1 | |
| SCHEMBL19493860 | 0.67 | — | — | |
| SCHEMBL17164123 | 0.66 | SRC (0.43) | PDPK1ALDH1A1PARP1CYP1A2 | |
| SCHEMBL18704127 | 0.66 | PARP1 (0.41) | PDPK1ALDH1A1PARP1CYP1A2BCAT2 |
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-2017060488-A1 | NEW TRPA1 ANTAGONISTS | ALMIRALL, S.A. (ES) | 2017-04-13 | — | — | WO | disclosed |