Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | MPL | P40238 | 3/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | ULK1 | O75385 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.30 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31257140 | 0.77 | TRPA1 (0.35) | — | |
| SCHEMBL20152370 | 0.77 | TRPA1 (0.35) | — | |
| SCHEMBL10548882 | 0.76 | CASR (0.42) | — | |
| Methyl Alcohol SCHEMBL28252450 | 0.72 | TRPV4 (0.31) | — | |
| SCHEMBL696829 | 0.71 | TAAR1 (0.44) | PARP1HCAR1MPLP2RX7ULK1 | |
| SCHEMBL5691259 | 0.71 | CYP17A1 (0.49) | CYP3A4 | |
| SCHEMBL392820 | 0.70 | — | — | |
| SCHEMBL3416281 | 0.69 | TP53 (0.33) | HSD11B1HCAR1CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL3419181 | 0.69 | KAT6A (0.35) | PARP1HCAR1MPLP2RX7KAT6A | |
| SCHEMBL10548403 | 0.68 | SMN1; SMN2 (0.34) | CYP2C9 |
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 5 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 |
| CN-101031549-A | As specific alpha24- (phenylmethyl and substituted phenylmethyl) -imidazole-2-thiones as adrenergic agonists | ALLERGAN INC (US) | 2007-09-05 | — | — | CN | disclosed |
| EP-1797043-A1 | 4-(PHENYLMETHYL AND SUBSTITUTED PHENYLMETHYL)-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC ALPHA2 ADRENERGIC AGONISTS | Allergan, Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006036480-A1 | 4-(PHENYLMETHYL AND SUBSTITUTED PHENYLMETHYL)-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |