Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | UBE2M | P61081 | 5/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 5/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7341248 | 0.96 | CYP1A2 (0.38) | CYP1A2CYP2D6CRHR1NR1H2NR1H3 | |
| SCHEMBL7343263 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2D6CRHR1DRD4HTR1D | |
| SCHEMBL7343447 | 0.81 | DRD2 (0.42) | CYP1A2CYP2D6DRD4UBE2MDCUN1D1 | |
| SCHEMBL7344285 | 0.81 | CYP2D6 (0.47) | CYP1A2CYP2D6NR1H2NR1H3DRD4 | |
| SCHEMBL7338260 | 0.81 | CRHR1 (0.39) | CRHR1 | |
| SCHEMBL7343328 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP2D6CRHR1DRD4UBE2M | |
| SCHEMBL7339633 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2D6DRD4DRD3ADORA3 | |
| SCHEMBL7338728 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL7343396 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP2D6DRD4DRD3ADORA3 | |
| SCHEMBL7337002 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP2D6DRD4DRD3ADORA3 |
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 |