Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 6/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HRH1 | P35367 | 7/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7168715 | 0.92 | HTR3A (0.81) | HTR3ACYP2D6ALDH1A1HRH1CHRM1 | |
| SCHEMBL20715427 | 0.90 | CYP2D6 (0.64) | HTR3ACYP2D6MEN1KMT2ACYP1A2 | |
| SCHEMBL9023706 | 0.89 | HTR3A (0.85) | HTR3A | |
| SCHEMBL20715423 | 0.89 | CYP2D6 (0.66) | HTR3ACYP2D6MEN1KMT2ACYP1A2 | |
| Lerisetron SCHEMBL141124 | 0.86 | HTR3A (1.00) | HTR3A | |
| Lerisetron SCHEMBL30669539 | 0.86 | HTR3A (1.00) | HTR3A | |
| SCHEMBL10967129 | 0.86 | HTR3A (0.71) | HTR3A | |
| SCHEMBL3870975 | 0.86 | HTR3A (0.60) | HTR3ACYP2D6HRH1CHRM1KCNH2 | |
| Lerisetron SCHEMBL29040939 | 0.85 | HTR3A (0.97) | HTR3A | |
| SCHEMBL20715422 | 0.83 | TNF (0.59) | HTR3ACYP2D6ALDH1A1HRH1CHRM1 |
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-0545845-B1 | Imidazole compounds, their preparation and use as calcium channel blockers | NEUROSEARCH AS (DK) | 1996-02-28 | — | — | EP | disclosed |
| US-5314903-A | Benzimidazole compounds useful as calcium channel blockers | NEUROSEARCH A/S (DK) | 1994-05-24 | — | — | US | disclosed |
| EP-0545845-A1 | Imidazole compounds, their preparation and use as calcium channel blockers | NEUROSEARCH A/S (DK) | 1993-06-09 | — | — | EP | disclosed |