Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27691620 | 0.79 | CA1 (0.80) | CA1CA9TSHRNAMPTALDH1A1 | |
| Phenylethyl Alcohol SCHEMBL27615023 | 0.79 | TDP1 (0.50) | CA1CA9TAAR1MAOBCYP2C19 | |
| Benzylamine SCHEMBL7800266 | 0.79 | LOXL2 (0.52) | LOXL2TAAR1CYP2D6MAOBCYP1A2 | |
| Biphenyl SCHEMBL28765365 | 0.78 | CA1 (0.64) | CA1CA9TSHRNAMPTKMT2A | |
| Butyrolactone SCHEMBL2125228 | 0.78 | LOXL2 (0.53) | CA1CA9LOXL2CYP1A2TSHR | |
| Benzyl Alcohol SCHEMBL8433166 | 0.77 | TSHR (0.50) | CA1CA9TAAR1TSHRCYP2C19 | |
| Benzylamine SCHEMBL27576789 | 0.75 | LOXL2 (0.64) | LOXL2TAAR1CYP2D6MAOBCYP1A2 | |
| Phenol SCHEMBL29057824 | 0.75 | CA1 (0.59) | CA1CA9TAAR1MAOBTSHR | |
| Phenol SCHEMBL27956101 | 0.75 | CA1 (0.59) | CA1CA9TAAR1MAOBTSHR | |
| Toluene SCHEMBL28289326 | 0.75 | CA1 (0.59) | CA1CA9MAOBTSHRNAMPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996034851-A1 | BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE | ABBOTT LABORATORIES (US) | 1996-11-07 | — | — | WO | disclosed |