Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 13/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3717002 | 0.86 | SCN9A (0.52) | SCN9AALDH1A1HPGDNPSR1CASP1 | |
| SCHEMBL3728866 | 0.85 | SCN9A (0.53) | SCN9ACASP1FPR2KDM4ECYP1A2 | |
| SCHEMBL3717776 | 0.83 | SCN9A (0.52) | SCN9ASMN1; SMN2CASP1FPR2TP53 | |
| SCHEMBL3727410 | 0.82 | SCN9A (0.53) | SCN9ACASP1FPR2ADORA3KMT2A | |
| SCHEMBL3725418 | 0.82 | SCN9A (0.57) | SCN9ACASP1FPR2ADORA3KMT2A | |
| SCHEMBL3717917 | 0.81 | SCN9A (0.53) | SCN9ACASP1FPR2ADORA3KMT2A | |
| SCHEMBL3724727 | 0.81 | SCN9A (0.53) | SCN9AALDH1A1HSD17B10CASP1FPR2 | |
| SCHEMBL3724700 | 0.80 | SCN9A (0.51) | SCN9ACASP1FPR2ADORA3KMT2A | |
| SCHEMBL3720121 | 0.79 | SCN9A (0.55) | SCN9ACASP1FPR2KDM4EADORA3 | |
| SCHEMBL3721217 | 0.77 | SCN9A (0.53) | SCN9ACASP1FPR2ADORA3 |
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 |