Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CASP1 | P29466 | 4/20 | 0.38 |
| ▸ | CASP7 | P55210 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 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 | |
|---|---|---|---|---|
| SCHEMBL19905858 | 0.92 | USP2 (0.38) | ALDH1A1CYP1A2CASP1CASP7HIF1A | |
| SCHEMBL19906318 | 0.88 | PPARD (0.37) | KCNH2PPARDPPARAPPARGAOC3 | |
| SCHEMBL19905915 | 0.88 | MTOR (0.40) | ALDH1A1CYP1A2CASP1CASP7HIF1A | |
| SCHEMBL19906079 | 0.84 | ACVR1B (0.40) | KCNH2 | |
| SCHEMBL19906236 | 0.84 | PTGDR2 (0.38) | ALDH1A1CYP1A2CYP2C9PPARDMEN1 | |
| SCHEMBL15341100 | 0.83 | CYP3A4 (0.37) | ALDH1A1CYP1A2CASP1CASP7HIF1A | |
| SCHEMBL19906287 | 0.83 | KDR (0.37) | ALDH1A1MEN1KMT2APTGDR2KDM4E | |
| SCHEMBL19906269 | 0.83 | EIF4E (0.40) | ALDH1A1CYP1A2CYP2C9PPARDMEN1 | |
| SCHEMBL19906136 | 0.83 | GRM5 (0.36) | ALDH1A1PPARDMEN1KMT2APTGDR2 | |
| SCHEMBL19905874 | 0.82 | PTGDR2 (0.35) | ALDH1A1CYP1A2CYP2C9PPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3070081-B1 | BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | GILEAD SCIENCES INC (US) | 2018-02-28 | — | — | EP | disclosed |