Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722028 | 0.86 | GRM2 (0.45) | KDM4EALDH1A1HPGDFPR2SCN9A | |
| SCHEMBL3717581 | 0.85 | PTGS1 (0.56) | PTGS1PTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL1733560 | 0.83 | KDM4E (0.53) | PTGS1KDM4EALDH1A1HPGDADORA1 | |
| SCHEMBL3727320 | 0.82 | SCN9A (0.43) | KDM4EALDH1A1HPGDFPR2SCN9A | |
| SCHEMBL1734127 | 0.80 | KDM4E (0.57) | PTGS2KDM4EALDH1A1HPGDADORA1 | |
| SCHEMBL3723261 | 0.79 | PTGS1 (0.48) | PTGS1PTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL3720301 | 0.78 | KMT2A (0.43) | HPGDMCL1CASP1 | |
| SCHEMBL3720116 | 0.78 | SCN9A (0.47) | KDM4EHPGDSCN9AADORA1GRM2 | |
| SCHEMBL3718666 | 0.77 | KDM4E (0.55) | KDM4ECA1CA2CA9 | |
| SCHEMBL3717779 | 0.77 | SCN9A (0.58) | ALDH1A1SCN9ANPC1RAB9A |
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 |