Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CPS1 | P31327 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.30 |
| ▸ | GRM8 | O00222 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13765722 | 0.82 | TAAR1 (0.44) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL13766030 | 0.81 | TAAR1 (0.43) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL10202032 | 0.79 | TAAR1 (0.47) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL14767338 | 0.74 | TAAR1 (0.47) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL1474395 | 0.73 | TAAR1 (0.42) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL22043270 | 0.72 | TAAR1 (0.41) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL25946862 | 0.72 | TAAR1 (0.41) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL1476208 | 0.71 | HSD11B1 (0.41) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL1474459 | 0.71 | TAAR1 (0.40) | TAAR1ALDH1A1CA1CA2CYP1A2 | |
| SCHEMBL13547867 | 0.69 | TAAR1 (0.57) | TAAR1ALDH1A1CA1CA2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7566739-B2 | Substituted N-sulfonylaminophenylethyl-2-phenoxyacetamide compounds as VR1 receptor antagonists | PFIZER INC. (US) | 2009-07-28 | — | — | US | disclosed |