Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610426 | 0.90 | THRA (0.40) | APPBCHEMAOAACHEMAOB | |
| SCHEMBL16610417 | 0.86 | KDM4E (0.48) | APPACHEKMT2AMEN1ALDH1A1 | |
| SCHEMBL16610416 | 0.83 | HTR1A (0.43) | APPACHEKMT2AMEN1ALDH1A1 | |
| SCHEMBL16610407 | 0.78 | ALDH1A1 (0.39) | L3MBTL1KMT2AMEN1ALDH1A1THRA | |
| SCHEMBL16610334 | 0.74 | THRB (0.44) | APPKMT2AMEN1ALDH1A1THRA | |
| SCHEMBL16610344 | 0.73 | NPC1 (0.49) | APPNPC1L3MBTL1BCHEMAOA | |
| SCHEMBL11270615 | 0.70 | KMT2A (0.63) | APPNPC1L3MBTL1BCHEMAOA | |
| SCHEMBL11270618 | 0.70 | KMT2A (0.63) | APPNPC1L3MBTL1BCHEMAOA | |
| SCHEMBL28647053 | 0.70 | NPC1 (0.57) | NPC1L3MBTL1BCHEMAOAACHE | |
| SCHEMBL9112337 | 0.69 | ABCG2 (0.56) | BCHEACHEALDH1A1SMN1; SMN2 |
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 |