Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 5/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10710755 | 0.78 | GABRA1 (0.43) | CYP1A2ALDH1A1HIF1ALMNACA1 | |
| SCHEMBL1358607 | 0.77 | GABRA1 (0.41) | CYP1A2HIF1ALMNACA1CA2 | |
| SCHEMBL1070380 | 0.73 | KIF11 (0.40) | CYP2A6CYP1A2ALDH1A1LMNAAHR | |
| SCHEMBL598366 | 0.73 | CA1 (0.50) | CYP2A6CYP1A2ALDH1A1HIF1ALMNA | |
| SCHEMBL7923602 | 0.69 | GABRA1 (0.39) | CYP2A6CYP1A2HIF1ALMNACA1 | |
| SCHEMBL7923591 | 0.68 | CYP1A2 (0.36) | CYP2A6CYP1A2ALDH1A1HIF1ALMNA | |
| SCHEMBL23119496 | 0.68 | CYP2A6 (0.52) | CYP2A6CYP1A2ALDH1A1HIF1ALMNA | |
| SCHEMBL2343892 | 0.66 | CYP1A2 (0.58) | CYP2A6CYP1A2ALDH1A1PARP1AHR | |
| SCHEMBL598068 | 0.66 | CYP1A2 (0.67) | CYP2A6CYP1A2ALDH1A1AHRCA1 | |
| SCHEMBL30363673 | 0.66 | CYP1A2 (0.58) | CYP2A6CYP1A2ALDH1A1PARP1AHR |
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-6204422-B1 | CATALYTIC HYDRODEALKYLATION | FUJI OIL COMPANY, LTD. (JP) | 2001-03-20 | — | — | US | disclosed |