Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.83 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.83 |
| ▸ | TSHR | P16473 | 5/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16041206 | 0.96 | CYP1A2 (0.83) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL28814927 | 0.91 | CYP2A6 (1.00) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL49861 | 0.91 | CYP2A6 (1.00) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL29736830 | 0.91 | CYP2A6 (1.00) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL9614419 | 0.89 | CYP2A6 (0.95) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL2810487 | 0.89 | CYP2A6 (0.95) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL31498531 | 0.89 | CYP2A6 (0.95) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL2810486 | 0.89 | CYP2A6 (0.95) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL28536959 | 0.89 | CYP2A6 (0.95) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 | |
| Methane SCHEMBL16097895 | 0.89 | CYP2A6 (0.95) | CYP1A2CYP2A6TSHRALDH1A1HSD17B10 |
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-0554704-B1 | Process for producing dimethyl naphthalene | MITSUBISHI GAS CHEMICAL CO (JP) | 1996-11-13 | — | — | EP | claimed |