Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Rezatomidine SCHEMBL7799658 | 0.78 | ADRA2A (0.53) | CYP1A2CYP3A4CYP2D6ALDH1A1ADRA2A | |
| Rezatomidine SCHEMBL676215 | 0.78 | ADRA2A (0.53) | CYP1A2CYP3A4CYP2D6ALDH1A1ADRA2A | |
| Rezatomidine SCHEMBL345466 | 0.78 | ADRA2A (0.53) | CYP1A2CYP3A4CYP2D6ALDH1A1ADRA2A | |
| SCHEMBL3749391 | 0.76 | ADRA2A (0.55) | CYP1A2ALDH1A1ADRA2AADRA2BADRA2C | |
| SCHEMBL3419587 | 0.76 | CES2 (0.33) | CYP1A2CYP3A4CYP2D6ADRA2AADRA2B | |
| SCHEMBL22801396 | 0.74 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL14546567 | 0.72 | ADRA2A (0.38) | CYP1A2CYP3A4CYP2D6ADRA2AADRA2B | |
| SCHEMBL8510869 | 0.72 | GABRA1 (0.37) | CYP1A2CYP3A4CYP2D6ADRA2AADRA2B | |
| SCHEMBL8510363 | 0.72 | GABRA1 (0.37) | CYP1A2CYP3A4CYP2D6ADRA2AADRA2B | |
| SCHEMBL3709658 | 0.72 | GABRA1 (0.37) | CYP1A2CYP3A4CYP2D6ADRA2AADRA2B |
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 |