Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22960091 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL31593915 | 0.93 | CYP2A6 (0.48) | ALDH1A1CYP3A4HSD17B10TDP1CYP2A6 | |
| SCHEMBL16335444 | 0.93 | CYP2A6 (0.48) | ALDH1A1CYP3A4HSD17B10TDP1CYP2A6 | |
| SCHEMBL3284603 | 0.93 | ACHE (0.35) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL12277753 | 0.88 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL13196331 | 0.85 | CYP2A6 (0.41) | TDP1CYP2A6CYP1A2ACHE | |
| SCHEMBL16487315 | 0.82 | ALDH1A1 (0.41) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL19810049 | 0.80 | CYP3A4 (0.35) | ALDH1A1CYP3A4HSD17B10CYP2A6CYP1A2 | |
| SCHEMBL13249011 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HSD17B10HIF1ACYP1A2 | |
| SCHEMBL6746757 | 0.79 | CYP2A6 (0.42) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 |
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-4981962-A | CHARGE TRANSFER COMPLEXES | CIBA-GEIGY CORPORATION (US) | 1991-01-01 | — | — | US | disclosed |