Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 3/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3749391 | 0.74 | ADRA2A (0.55) | ALDH1A1 | |
| Rezatomidine SCHEMBL7799658 | 0.73 | ADRA2A (0.53) | KDM4EGAAGFERKMT2AALDH1A1 | |
| Rezatomidine SCHEMBL676215 | 0.73 | ADRA2A (0.53) | KDM4EGAAGFERKMT2AALDH1A1 | |
| SCHEMBL13052897 | 0.71 | MET (0.44) | DAOALDH1A1 | |
| SCHEMBL13052885 | 0.71 | OGA (0.43) | KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL3419587 | 0.70 | CES2 (0.33) | KDM4EGAAGFERCYP3A4 | |
| SCHEMBL7009768 | 0.68 | DAO (0.46) | KDM4EDAOKMT2ACOMTTYR | |
| SCHEMBL14546567 | 0.67 | ADRA2A (0.38) | KMT2ACYP3A4TDP1 | |
| Benzene SCHEMBL28192760 | 0.67 | TAAR1 (0.50) | KDM4EKMT2ATYRALDH1A1TAAR1 | |
| SCHEMBL169730 | 0.67 | TAAR1 (0.50) | KDM4EKMT2ATYRALDH1A1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7683089-B1 | 4-(Phenylmethyl and substituted phenylmethyl)-imidazole-2-thiones acting as specific alpha2 adrenergic agonists | ALLERGAN, INC (US) | 2010-03-23 | — | — | US | disclosed |
| US-7683089-B1 | 4-(Phenylmethyl and substituted phenylmethyl)-imidazole-2-thiones acting as specific alpha2 adrenergic agonists | ALLERGAN, INC (US) | 2010-03-23 | — | — | US | disclosed |
| US-7683089-B1 | 4-(Phenylmethyl and substituted phenylmethyl)-imidazole-2-thiones acting as specific alpha2 adrenergic agonists | ALLERGAN, INC (US) | 2010-03-23 | — | — | US | disclosed |