Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16610382 | 0.85 | GABBR2 (0.40) | APPCYP3A4GABBR2GABBR1PTGES | |
| SCHEMBL11853693 | 0.80 | GABBR2 (0.59) | NPC1L3MBTL1TRPM8BCHEMAOA | |
| SCHEMBL16610343 | 0.76 | PELI1 (0.46) | NPC1ACHEAPPCYP3A4GABBR2 | |
| SCHEMBL28818999 | 0.76 | PELI1 (0.46) | NPC1ACHEAPPCYP3A4GABBR2 | |
| SCHEMBL15681753 | 0.75 | TRPM8 (0.61) | NPC1L3MBTL1TRPM8CYP3A4 | |
| SCHEMBL27495467 | 0.75 | COMT (0.59) | NPC1L3MBTL1 | |
| SCHEMBL16610411 | 0.73 | APP (0.41) | NPC1L3MBTL1TRPM8BCHEMAOA | |
| SCHEMBL16610336 | 0.73 | TRPV1 (0.52) | BCHEMAOAACHEAPPCYP3A4 | |
| SCHEMBL28012614 | 0.73 | TRPV1 (0.52) | BCHEMAOAACHEAPPCYP3A4 | |
| SCHEMBL28376783 | 0.73 | NPC1 (0.64) | NPC1L3MBTL1TRPM8MAOAMAOB |
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 |