Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.42 |
| ▸ | VCP | P55072 | 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 | |
|---|---|---|---|---|
| SCHEMBL3727125 | 0.95 | PTGS2 (0.48) | PTGS2PTGS1KDM4EALDH1A1LMNA | |
| SCHEMBL3720863 | 0.85 | PTGS2 (0.47) | PTGS2PTGS1KDM4EALDH1A1LMNA | |
| SCHEMBL1733467 | 0.84 | KDM4E (0.58) | PTGS2PTGS1KDM4EALDH1A1LMNA | |
| SCHEMBL1733515 | 0.83 | KDM4E (0.57) | PTGS2PTGS1KDM4EALDH1A1LMNA | |
| SCHEMBL3724700 | 0.82 | SCN9A (0.51) | SCN9AFPR2 | |
| SCHEMBL3724706 | 0.80 | SCN9A (0.43) | SCN9AHDAC8VCPRPS6KB1 | |
| SCHEMBL3727139 | 0.80 | GRM2 (0.42) | PTGS2PTGS1KDM4EALDH1A1LMNA | |
| SCHEMBL3719672 | 0.79 | KDM4E (0.55) | PTGS2PTGS1KDM4EALDH1A1LMNA | |
| SCHEMBL3725418 | 0.76 | SCN9A (0.57) | SCN9AFPR2 | |
| SCHEMBL29703181 | 0.76 | PTGS2 (0.60) | PTGS2PTGS1KDM4EALDH1A1LMNA |
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 |