Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7344285 | 0.90 | CYP2D6 (0.47) | CYP1A2CYP2D6KDM4ENR1H2NR1H3 | |
| SCHEMBL7339633 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2D6KDM4E | |
| SCHEMBL7343396 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7337002 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7344115 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7339207 | 0.82 | CYP2D6 (0.49) | CYP1A2CYP2D6KDM4E | |
| SCHEMBL7339933 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP2D6NR1H2NR1H3 | |
| SCHEMBL7339663 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP2D6NR1H2NR1H3 | |
| SCHEMBL7348192 | 0.80 | DRD4 (0.47) | CYP1A2CYP2D6 | |
| SCHEMBL7342120 | 0.80 | DRD4 (0.45) | CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0598962-B1 | Imidazole derivatives as calcium channel blockers | NEUROSEARCH AS (DK) | 1999-02-17 | — | — | EP | claimed |
| EP-0598962-A1 | Imidazole derivatives as calcium channel blockers | NEUROSEARCH A/S (DK) | 1994-06-01 | — | — | EP | disclosed |
| US-5296493-A | Analgesics or antiischemics | NEUROSEARCH A/S (DK) | 1994-03-22 | — | — | US | disclosed |