Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.33 |
| ▸ | CCKBR | P32239 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | MDM4 | O15151 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 9/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL31359426 | 0.81 | CYP2C19 (0.43) | TP53NR1I2ADORA3TBXA2RCCKBR | |
| SCHEMBL3755263 | 0.81 | CYP2C19 (0.43) | TP53NR1I2ADORA3TBXA2RCCKBR | |
| SCHEMBL12510465 | 0.81 | CYP11B1 (0.33) | TP53NR1I2ADORA3TBXA2RCCKBR | |
| SCHEMBL3418683 | 0.81 | KCNN4 (0.40) | TP53NR1I2ADORA3TBXA2RCCKBR | |
| SCHEMBL31284761 | 0.79 | MDM4 (0.31) | TP53MDM4MDM2SIRT2ENPP2 | |
| SCHEMBL3742293 | 0.79 | TSHR (0.35) | CYP11B1CYP11B2SIRT2MEN1LMNA | |
| SCHEMBL34464541 | 0.78 | ENPP2 (0.36) | CYP11B1CYP11B2SIRT2HCAR1ENPP2 | |
| SCHEMBL34464579 | 0.78 | ENPP2 (0.34) | TP53MDM4MDM2ENPP2 | |
| SCHEMBL13053078 | 0.77 | CYP11B1 (0.42) | CYP11B1CYP11B2SIRT2ENPP2MEN1 | |
| SCHEMBL3746941 | 0.77 | KDM4E (0.33) | SIRT2ENPP2MEN1MAPTTSHR |
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 |