Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
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) | KCNN4KCNA3HTR2AHTR2COPRK1 | |
| SCHEMBL12510465 | 0.81 | CYP11B1 (0.33) | KCNN4KCNA3HTR2AHTR2COPRK1 | |
| SCHEMBL3755263 | 0.81 | CYP2C19 (0.43) | KCNN4KCNA3HTR2AHTR2COPRK1 | |
| SCHEMBL3416281 | 0.81 | TP53 (0.33) | KCNN4KCNA3HTR2AHTR2COPRK1 | |
| SCHEMBL3742293 | 0.79 | TSHR (0.35) | CYP3A4MEN1LMNAMAPTCHRM1 | |
| SCHEMBL34464541 | 0.78 | ENPP2 (0.36) | CYP11B1CYP11B2SIRT2ENPP2 | |
| SCHEMBL13053078 | 0.77 | CYP11B1 (0.42) | CYP3A4MEN1TSHRCYP2C19KMT2A | |
| SCHEMBL3746941 | 0.77 | KDM4E (0.33) | MEN1MAPTTSHRMAPK1RAB9A | |
| SCHEMBL31284594 | 0.77 | CYP3A4 (0.34) | CYP3A4TSHRCYP2C19CYP11B1CYP11B2 | |
| SCHEMBL31285619 | 0.77 | CYP3A4 (0.32) | KCNA3CYP3A4TSHRCYP2C19CYP11B1 |
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 4 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 |
| 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 |