Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11791058 | 0.83 | HSD17B10 (0.76) | HSD17B10CYP2C9ALDH1A1CYP1A2ALDH5A1 | |
| Trifluoroacetic Acid SCHEMBL30473139 | 0.82 | ALDH1A1 (0.48) | ALDH1A1ALDH5A1ABATCYP2A6KMT2A | |
| Benzaldehyde SCHEMBL28521088 | 0.81 | ALDH1A1 (0.64) | CYP2C9ALDH1A1CYP1A2ALDH5A1ABAT | |
| Trifluoroacetic Acid SCHEMBL30626587 | 0.80 | ALDH1A1 (0.47) | HSD17B10ALDH1A1ALDH5A1ABATCYP2A6 | |
| SCHEMBL1919 | 0.80 | — | — | |
| Bicarbonate SCHEMBL28094669 | 0.79 | HSD17B10 (0.70) | HSD17B10CYP2C9ALDH1A1CYP1A2ALDH5A1 | |
| Methyl Alcohol SCHEMBL28044962 | 0.78 | HSD17B10 (0.84) | HSD17B10CYP2C9ALDH1A1CYP1A2ALDH5A1 | |
| Hydrochloric Acid SCHEMBL5255687 | 0.78 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| SCHEMBL28981622 | 0.78 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT | |
| SCHEMBL8995751 | 0.78 | HSD17B10 (0.94) | HSD17B10ALDH1A1CYP1A2ALDH5A1ABAT |
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 |
|---|---|---|---|---|---|---|---|
| US-6977263-B2 | Chemical compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-20 | — | — | US | disclosed |