Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610333 | 0.87 | APP (0.36) | ALDH1A1KDM4EAPPRXRA | |
| SCHEMBL16610370 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KDM4ETUBB1APPAOX1 | |
| SCHEMBL16610422 | 0.82 | THRB (0.46) | ALDH1A1KDM4EAPPMEN1GAA | |
| SCHEMBL16610404 | 0.74 | TRPV1 (0.49) | ALDH1A1KDM4EAPP | |
| SCHEMBL660556 | 0.73 | KIF11 (0.40) | ALDH1A1KDM4EAPPAOX1 | |
| SCHEMBL8848334 | 0.73 | XDH (0.46) | ALDH1A1KDM4EAPPAOX1 | |
| SCHEMBL16610334 | 0.71 | THRB (0.44) | ALDH1A1KDM4EAPPMEN1GAA | |
| SCHEMBL16610407 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4EL3MBTL1MEN1GAA | |
| SCHEMBL17341767 | 0.70 | ERN1 (0.45) | KDM4EAPP | |
| SCHEMBL3576792 | 0.70 | ALDH1A1 (0.67) | ALDH1A1KDM4EL3MBTL1TUBB1AOX1 |
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 |