Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | AR | P10275 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | FOS | P01100 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520102 | 0.88 | ALDH1A1 (0.72) | ALDH1A1ALOX5CYP3A4ARPTGS1 | |
| SCHEMBL917723 | 0.88 | ALDH1A1 (0.72) | ALDH1A1ALOX5CYP3A4ARPTGS1 | |
| Eugenol SCHEMBL29727530 | 0.85 | ALDH1A1 (0.79) | ALDH1A1ALOX5CYP3A4ARPTGS1 | |
| SCHEMBL2559726 | 0.78 | ALDH1A1 (0.63) | ALDH1A1ALOX5CYP3A4ARPTGS1 | |
| Vanillin SCHEMBL29787161 | 0.76 | ALDH1A1 (0.77) | ALDH1A1ALOX5CYP3A4PTGS1TSHR | |
| Vanillin SCHEMBL2370880 | 0.76 | ALDH1A1 (0.77) | ALDH1A1ALOX5CYP3A4PTGS1TSHR | |
| SCHEMBL17843664 | 0.75 | ALDH1A1 (0.74) | ALDH1A1ALOX5CYP3A4ARPTGS1 | |
| SCHEMBL17843665 | 0.75 | ALDH1A1 (0.74) | ALDH1A1ALOX5CYP3A4ARPTGS1 | |
| Tetrahydrocurcumin SCHEMBL31472988 | 0.75 | ALOX5 (0.81) | ALOX5CYP3A4TSHRGAATAAR1 | |
| Eugenol SCHEMBL3693444 | 0.75 | ALDH1A1 (0.76) | ALDH1A1ALOX5CYP3A4ARPTGS1 |
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-2008128166-A1 | DEUTERATED DERIVATIVES OF 4-(6-FLUORO-1, 2-BENZISOXAZOL-3-YL) PIPERIDINE COMPOUNDS | CONCERT PHARMACEUTICALS INC. (US) | 2008-10-23 | — | — | WO | disclosed |