Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 8/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21001306 | 0.89 | KMO (0.50) | SCN9AAHRS1PR1MKNK1MKNK2 | |
| SCHEMBL3721217 | 0.86 | SCN9A (0.53) | SCN9APARP1FPR2ADORA3 | |
| SCHEMBL3725418 | 0.86 | SCN9A (0.57) | SCN9APARP1FPR2ADORA3 | |
| SCHEMBL3718638 | 0.84 | SCN9A (0.49) | SCN9APARP1FPR2ADORA3 | |
| SCHEMBL25582465 | 0.82 | AHR (0.56) | SCN9AAHRS1PR1KDRLMNA | |
| SCHEMBL3567928 | 0.81 | S1PR1 (0.56) | S1PR1NPC1LMNASMN1; SMN2NPSR1 | |
| SCHEMBL22429411 | 0.81 | AHR (0.54) | SCN9AAHRS1PR1MKNK1MKNK2 | |
| SCHEMBL3718623 | 0.79 | KDM4E (0.58) | SCN9ALMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL21001575 | 0.79 | AHR (0.78) | AHRS1PR1LMNAMAPTXBP1 | |
| SCHEMBL21001578 | 0.79 | AHR (0.78) | AHRS1PR1LMNAMAPTXBP1 |
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 |