Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6413861 | 0.81 | CYP2A6 (0.54) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL7653479 | 0.80 | TSHR (0.48) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL8039757 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL11140744 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL1610697 | 0.77 | HTR2A (0.52) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL5010695 | 0.76 | HSD17B10 (0.37) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL7650726 | 0.75 | TSHR (0.47) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL6011729 | 0.75 | L3MBTL1 (0.59) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL7648260 | 0.75 | NCEH1 (0.41) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL3757556 | 0.74 | TAAR1 (0.54) | CYP2A6CYP1A2HSD17B10CYP2C9CYP2C19 |
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-6045974-A | ADDITION PHOTOPOLYMERIZATION OF NONVOLATILE MONOMERIC, OLIGOMERIC OR POLYMERIC COMPOUNDS CONTAINING AT LEAST ONE ETHYLENICALLY UNSATURATED DOUBLE BOND | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2000-04-04 | — | — | US | disclosed |