Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | AADAC | P22760 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610337 | 0.78 | TRPV1 (0.46) | TRPV1SMN1; SMN2ALDH1A1LMNACYP3A4 | |
| SCHEMBL28013192 | 0.78 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1HTTBACE1HPGD | |
| SCHEMBL16610336 | 0.77 | TRPV1 (0.52) | TRPV1SMN1; SMN2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL28012614 | 0.77 | TRPV1 (0.52) | TRPV1SMN1; SMN2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL16610366 | 0.76 | TRPV1 (0.46) | TRPV1SMN1; SMN2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL16610453 | 0.75 | AR (0.37) | SMN1; SMN2ALDH1A1ARLMNACYP3A4 | |
| SCHEMBL28013193 | 0.75 | TRPV1 (0.51) | TRPV1SMN1; SMN2LMNAHTTBACE1 | |
| SCHEMBL16610380 | 0.75 | TRPV1 (0.51) | TRPV1SMN1; SMN2LMNAHTTBACE1 | |
| SCHEMBL16610410 | 0.73 | TRPV1 (0.57) | TRPV1SMN1; SMN2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL16610369 | 0.73 | TRPV1 (0.60) | TRPV1ALDH1A1LMNACYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015043522-A1 | TRIFLUOROMETHYL-CONTAINING AMIDE ALKALOID, MANUFACTURING METHOD AND PHARMACEUTICAL USE THEREOF | 天士力制药集团股份有限公司 | 2015-04-02 | — | — | WO | disclosed |