Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL24372512 | 0.95 | HPRT1 (0.44) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL12014702 | 0.94 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL13015753 | 0.92 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL13304038 | 0.91 | CYP1B1 (0.38) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL12703059 | 0.90 | ESR1 (0.41) | ALDH1A1HSD17B10CYP1B1ALOX5TDP1 | |
| SCHEMBL10063914 | 0.90 | ESR1 (0.41) | ALDH1A1HSD17B10CYP1B1ALOX5TDP1 | |
| SCHEMBL13303968 | 0.90 | CYP1B1 (0.37) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL12014704 | 0.90 | CYP1B1 (0.37) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL12014703 | 0.89 | ESR1 (0.39) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL12571735 | 0.89 | ESR1 (0.38) | ALDH1A1CYP1B1ALOX5TDP1ESR1 |
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-2010114256-A2 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) | 2010-10-07 | — | — | WO | disclosed |