Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3300856 | 0.92 | CYP2A6 (0.48) | ALDH1A1TDP1HSD17B10CYP3A4CYP2A6 | |
| SCHEMBL15318065 | 0.91 | ALDH1A1 (0.38) | ALDH1A1TDP1HSD17B10CYP3A4HIF1A | |
| SCHEMBL27597942 | 0.89 | CYP2A6 (0.46) | ALDH1A1TDP1HSD17B10CYP3A4HIF1A | |
| Hydrochloric Acid SCHEMBL27889214 | 0.89 | AGXT (0.46) | ALDH1A1TDP1HSD17B10CYP3A4CYP2A6 | |
| SCHEMBL15318061 | 0.85 | CYP2A6 (0.37) | ALDH1A1TDP1HSD17B10CYP3A4CYP2A6 | |
| Bromide SCHEMBL9490218 | 0.83 | ALDH1A1 (0.61) | ALDH1A1TDP1HSD17B10CYP3A4HIF1A | |
| Biphenyl SCHEMBL27830921 | 0.82 | ESR1 (0.45) | ALDH1A1TDP1HSD17B10CYP3A4CYP2A6 | |
| Hydrochloric Acid SCHEMBL28200826 | 0.82 | ALDH1A1 (0.54) | ALDH1A1TDP1HSD17B10CYP3A4HIF1A | |
| SCHEMBL20591150 | 0.79 | CYP2A6 (0.43) | ALDH1A1TDP1HSD17B10CYP3A4HIF1A | |
| Bromide SCHEMBL6297522 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1HSD17B10CYP3A4HIF1A |
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-2218706-A1 | BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME | Idemitsu Kosan Co., Ltd. (JP) | 2010-08-18 | — | — | EP | disclosed |