Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL660556 | 0.88 | KIF11 (0.40) | ALDH1A1AOX1TDP1TRIM24TRIM33 | |
| SCHEMBL16610423 | 0.83 | ALDH1A1 (0.45) | ALDH1A1AOX1APPTUBB1KDM4E | |
| SCHEMBL5155052 | 0.82 | ALDH1A1 (0.57) | ALDH1A1AOX1TDP1TRIM24TRIM33 | |
| SCHEMBL16077415 | 0.81 | SRC (0.45) | ALDH1A1AOX1TDP1TRIM24TRIM33 | |
| SCHEMBL896271 | 0.81 | ALDH1A1 (0.46) | ALDH1A1AOX1TDP1TRIM24TRIM33 | |
| SCHEMBL16610372 | 0.80 | KDM4E (0.55) | ALDH1A1TDP1HPGDAPPCA1 | |
| SCHEMBL16610333 | 0.79 | APP (0.36) | ALDH1A1HPGDAPPKDM4E | |
| SCHEMBL1159670 | 0.77 | TUBB1 (0.49) | ALDH1A1AOX1TDP1TRIM24TRIM33 | |
| SCHEMBL8848334 | 0.77 | XDH (0.46) | ALDH1A1AOX1APPKDM4EPTGS2 | |
| SCHEMBL1458171 | 0.77 | ALDH1A1 (0.49) | ALDH1A1AOX1TDP1TRIM24TRIM33 |
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 |