Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.46 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | NMT1 | P30419 | 1/20 | 0.44 |
| ▸ | CFD | P00746 | 2/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3794460 | 0.87 | TAAR1 (0.70) | TAAR1HRH3FGFR1FGFR2FGFR3 | |
| SCHEMBL28247640 | 0.85 | TAAR1 (0.74) | TAAR1HRH3FGFR1FGFR2FGFR3 | |
| SCHEMBL3791745 | 0.85 | LOXL2 (0.60) | TAAR1HRH3FGFR1FGFR2FGFR3 | |
| Hydrochloric Acid SCHEMBL5366344 | 0.83 | TAAR1 (0.61) | TAAR1ALDH1A1MAPK1 | |
| SCHEMBL29400616 | 0.83 | TAAR1 (0.70) | TAAR1HRH3PNMTENPP2LOXL2 | |
| SCHEMBL43554 | 0.83 | TAAR1 (0.70) | TAAR1HRH3PNMTENPP2LOXL2 | |
| SCHEMBL5828443 | 0.83 | HRH3 (0.74) | TAAR1HRH3ALDH1A1MAPK1LOXL2 | |
| SCHEMBL3720966 | 0.82 | LOXL2 (0.56) | TAAR1HRH3ALDH1A1FGFR1FGFR2 | |
| SCHEMBL15125657 | 0.82 | ALDH1A1 (0.50) | TAAR1ALDH1A1MAPK1AGXT | |
| Bromide SCHEMBL1856525 | 0.81 | TAAR1 (0.67) | TAAR1HRH3PNMTENPP2LOXL2 |
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 5 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 |
| CN-1190395-A | Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds | RHONE POULENC RORER PHARMA (US) | 1998-08-12 | — | — | CN | disclosed |