Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.54 |
| ▸ | ERN1 | O75460 | 3/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2690674 | 0.84 | EPHX2 (0.55) | ABL1EPHX2MAPK1PARP1AR | |
| SCHEMBL3864099 | 0.83 | AR (0.61) | ERN1MAPK1PARP1CYP3A4DPP4 | |
| SCHEMBL3721809 | 0.81 | ABL1 (0.62) | ABL1ERN1PDK2KDM4EMAPT | |
| SCHEMBL3722117 | 0.80 | DYRK1A (0.62) | ABL1ERN1PDK2EPHX2KDM4E | |
| SCHEMBL1400209 | 0.79 | SCN9A (0.65) | PDK2SCN9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3718585 | 0.78 | KIF11 (0.57) | ERN1PDK2PARP1DHODH | |
| SCHEMBL29799248 | 0.78 | HSD17B1 (0.56) | ABL1EPHX2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31574541 | 0.75 | KIF11 (0.61) | ABL1EPHX2KDM4EMAPTMAPK1 | |
| SCHEMBL31422694 | 0.74 | PARP1 (0.64) | ERN1MAPTPARP1CYP3A4DHODH | |
| SCHEMBL2431097 | 0.74 | PARP1 (0.64) | ERN1MAPTPARP1CYP3A4DHODH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | claimed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | claimed |
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | disclosed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |