Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.45 |
| ▸ | FPR2 | P25090 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723259 | 0.85 | PTGS1 (0.48) | PTGS1PTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL3725438 | 0.84 | SCN9A (0.47) | SCN9AFPR2ADORA3VCPCASP1 | |
| SCHEMBL3724700 | 0.83 | SCN9A (0.51) | SCN9AFPR2ADORA3CASP1 | |
| SCHEMBL3727419 | 0.83 | SCN9A (0.52) | SCN9AFPR2ADORA3VCPCASP1 | |
| SCHEMBL3717583 | 0.81 | PTGS1 (0.56) | PTGS1PTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL1733560 | 0.81 | KDM4E (0.53) | PTGS1KDM4EALDH1A1HPGDTLR8 | |
| SCHEMBL3721124 | 0.80 | MAPT (0.64) | KDM4EALDH1A1 | |
| SCHEMBL3722092 | 0.79 | PTGDR (0.43) | SCN9AVCPCASP1 | |
| SCHEMBL3721246 | 0.79 | SCN9A (0.48) | KDM4EALDH1A1SCN9AVCP | |
| SCHEMBL3717789 | 0.79 | SCN9A (0.53) | PTGS1PTGS2SCN9A |
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 2 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 | disclosed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |