Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.75 |
| ▸ | HPGD | P15428 | 3/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | STAT6 | P42226 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 3/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610371 | 0.88 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| SCHEMBL27183471 | 0.88 | ALDH1A1 (0.97) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| Cinoctramide SCHEMBL2111109 | 0.88 | ALDH1A1 (0.97) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| SCHEMBL15884182 | 0.81 | ALDH1A1 (0.78) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| SCHEMBL16610368 | 0.80 | KDM4E (0.72) | ALDH1A1KDM4EHPGDHSD17B10ATM | |
| SCHEMBL19187350 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| SCHEMBL25309070 | 0.79 | ALDH1A1 (0.80) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| SCHEMBL11717607 | 0.79 | ALDH1A1 (0.79) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| SCHEMBL11753535 | 0.78 | ALDH1A1 (0.81) | ALDH1A1KDM4EHPGDKMT2ATRPV1 | |
| SCHEMBL16610374 | 0.77 | ALOX5 (0.61) | ALDH1A1KDM4EHPGDKMT2ATRPV1 |
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 |