Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 8/20 | 0.36 |
| ▸ | DRD2 | P14416 | 6/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7103403 | 0.68 | ADRA2A (0.33) | ADRA2A | |
| SCHEMBL7104848 | 0.63 | ADRA2A (0.33) | ADRA2ADRD2 | |
| SCHEMBL20832928 | 0.53 | QDPR (0.45) | — | |
| SCHEMBL30735544 | 0.53 | — | — | |
| SCHEMBL13851861 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL22228025 | 0.53 | SLC6A4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL22228038 | 0.53 | SLC6A4 (0.46) | — | |
| SCHEMBL8021387 | 0.53 | DRD4 (1.00) | ADRA2AADRA2BADRA2CDRD4DRD2 | |
| SCHEMBL18806856 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL7608217 | 0.52 | HTR6 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6313309-B1 | BENZOTHIOPHENYL-1H-IMIDAZOLE ANALGESICS; HYPOTENSIVE AGENTS, ANTIDEPRESSANTS; SEXUAL, ATTENTION DEFICIT, AND HYPERACTIVE DISORDERS; DELTA-OPIOD RECEPTOR AGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-11-06 | — | — | US | disclosed |
| WO-1999051593-A1 | 4-THIONAPHTHYL-1H-IMIDAZOLES WITH ALPHA-2-ADRENERGIC ACTIVITY | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 1999-10-14 | — | — | WO | disclosed |