Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610335 | 0.91 | TRPV1 (0.47) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL16610410 | 0.89 | TRPV1 (0.57) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL28663853 | 0.89 | TRPV1 (0.57) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL16610330 | 0.86 | TRPV1 (0.47) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL28012614 | 0.84 | TRPV1 (0.52) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL16610336 | 0.84 | TRPV1 (0.52) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL16610422 | 0.81 | THRB (0.46) | APPKDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL16610369 | 0.80 | TRPV1 (0.60) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL28012613 | 0.80 | TRPV1 (0.60) | TRPV1ACHEAPPKDM4EALDH1A1 | |
| SCHEMBL28012612 | 0.79 | TRPV1 (0.50) | TRPV1ACHEAPPKDM4EALDH1A1 |
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 |