Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5799167 | 0.75 | DRD2 (0.44) | CYP19A1PNMT | |
| SCHEMBL5802511 | 0.71 | ADRA1A (0.39) | IDO1 | |
| SCHEMBL4763999 | 0.68 | — | — | |
| SCHEMBL4771509 | 0.68 | — | — | |
| SCHEMBL5798860 | 0.66 | PLAU (0.39) | CYP19A1 | |
| SCHEMBL9746568 | 0.63 | CYP19A1 (0.70) | CYP19A1SIGMAR1 | |
| SCHEMBL1338031 | 0.62 | CYP19A1 (0.41) | CYP19A1ADRA2AIDO1SIGMAR1PNMT | |
| SCHEMBL5802140 | 0.62 | PLAU (0.34) | CYP19A1 | |
| SCHEMBL8699550 | 0.60 | CYP19A1 (0.46) | CYP19A1ADRA2AIDO1SIGMAR1PNMT | |
| SCHEMBL7799472 | 0.60 | CYP19A1 (0.46) | CYP19A1ADRA2AIDO1SIGMAR1PNMT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006036404-A1 | 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYLOALKYLMETHYL) IMIDAZOL-2-ONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| EP-1507767-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003099795-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2003-12-04 | — | — | WO | disclosed |