Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31553088 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2A6ALDH1A1LMNAHPGD | |
| SCHEMBL596870 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2A6ALDH1A1LMNAHPGD | |
| SCHEMBL29355679 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2A6ALDH1A1LMNAHPGD | |
| Phosphine SCHEMBL4303780 | 0.85 | CYP1A2 (0.47) | CYP1A2CYP2A6ALDH1A1LMNAHPGD | |
| SCHEMBL5026892 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1LMNAHPGD | |
| SCHEMBL9179432 | 0.82 | UGT2B7 (0.44) | CYP1A2ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL11746263 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8781801 | 0.80 | UGT2B7 (0.42) | CYP1A2ALDH1A1LMNAHPGDTRPA1 | |
| SCHEMBL30876285 | 0.80 | UGT2B7 (0.42) | CYP1A2ALDH1A1LMNAHPGDTRPA1 | |
| SCHEMBL598329 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP2A6ALDH1A1LMNAHPGD |
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 |