Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.91 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL29453431 | 0.96 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| SCHEMBL29580405 | 0.96 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| SCHEMBL599599 | 0.96 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| Ammonia Solution, Strong SCHEMBL27937838 | 0.93 | CYP1A2 (0.95) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| SCHEMBL588278 | 0.88 | CYP1A2 (0.84) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| SCHEMBL31484861 | 0.84 | CYP1A2 (0.78) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| SCHEMBL28828757 | 0.84 | CYP1A2 (0.78) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| SCHEMBL9614972 | 0.84 | CYP1A2 (0.70) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| SCHEMBL5494664 | 0.83 | CYP2A6 (0.70) | CYP1A2CYP2A6ALDH1A1TDP1HPGD | |
| O-Xylene SCHEMBL7555306 | 0.83 | CYP2A6 (0.91) | CYP1A2CYP2A6ALDH1A1TDP1HPGD |
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-0996608-B1 | METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING | CHEVRON PHILLIPS CHEMICAL CO (US) | 2002-07-03 | — | — | EP | disclosed |