Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TOP2A | P11388 | 1/20 | 0.30 |
| ▸ | TOP2B | Q02880 | 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 | |
|---|---|---|---|---|
| SCHEMBL11838317 | 0.89 | CYP1A2 (0.36) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL11844325 | 0.85 | CYP1A2 (0.39) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL7576565 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP2D6DRD4ALOX15 | |
| SCHEMBL11813882 | 0.81 | ACE2 (0.42) | CYP1A2CYP2D6ALOX15 | |
| SCHEMBL11812600 | 0.81 | ACE2 (0.42) | CYP1A2CYP2D6ALOX15 | |
| SCHEMBL28911627 | 0.80 | CYP1A2 (0.36) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL23902086 | 0.80 | MEN1 (0.39) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL10962557 | 0.80 | TOP2A (0.41) | CYP1A2CYP2D6DRD4TOP2ATOP2B | |
| SCHEMBL7778398 | 0.79 | HTR2A (0.36) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL17324939 | 0.79 | HTR2A (0.36) | CYP1A2CYP2D6DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0239246-B1 | NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR SYNTHESIS THEREOF, AND METHOD OF CURING EPOXY RESINS USING SAID COMPOUNDS | SHIKOKU CHEMICALS CORPORATION (JP) | 1990-05-16 | — | — | EP | disclosed |
| US-4826991-A | Production of 1-aminoethyl-imidazoles via the hydrolysis of 1-acylaminoethylimidazoles | SHIKOKU CHEMICALS CORPORATION (JP) | 1989-05-02 | — | — | US | disclosed |
| EP-0239246-A1 | Novel imidazole compounds, process for synthesis thereof, and method of curing epoxy resins using said compounds | SHIKOKU CHEMICALS CORPORATION (JP) | 1987-09-30 | — | — | EP | disclosed |
| US-3949076-A | GASTRIC ACID SECRETION INHIBITION | SMITHKLINE CORPORATION (US) | 1976-04-06 | — | — | US | disclosed |