Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD1 | P21728 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.43 |
| ▸ | HRH1 | P35367 | 3/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | MC3R | P41968 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121328 | 0.84 | ACHE (0.50) | ACHEBCHENOX1GPR84CHRM2 | |
| SCHEMBL168345 | 0.80 | TRPA1 (0.56) | ACHEBCHENOX1GPR84ADORA3 | |
| SCHEMBL8130625 | 0.77 | TRPA1 (0.66) | ACHEBCHENOX1GPR84CHRM2 | |
| SCHEMBL9507758 | 0.76 | BCHE (0.59) | ACHEBCHENOX1CHRM2HTR1A | |
| SCHEMBL11846232 | 0.76 | ACHE (0.46) | ACHEBCHENOX1GPR84CHRM2 | |
| SCHEMBL19537670 | 0.69 | HPGD (0.56) | ACHEBCHENOX1GPR84CHRM2 | |
| SCHEMBL11707332 | 0.69 | DRD2 (0.49) | ACHEBCHENOX1GPR84CHRM2 | |
| SCHEMBL9508955 | 0.68 | BCHE (0.48) | ACHEBCHENOX1HPGDL3MBTL1 | |
| SCHEMBL4929830 | 0.68 | — | — | |
| SCHEMBL9511257 | 0.68 | BCHE (0.48) | ACHEBCHENOX1HPGDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4877779-A | CALCIUM CHANNEL BLOCKERS; TREATMENT OF IRRITABLE BOWEL SYNDROME | MARION LABORATORIES, INC. (US) | 1989-10-31 | — | — | US | claimed |
| US-4877779-A | CALCIUM CHANNEL BLOCKERS; TREATMENT OF IRRITABLE BOWEL SYNDROME | MARION LABORATORIES, INC. (US) | 1989-10-31 | — | — | US | disclosed |
| US-4877779-A | CALCIUM CHANNEL BLOCKERS; TREATMENT OF IRRITABLE BOWEL SYNDROME | MARION LABORATORIES, INC. (US) | 1989-10-31 | — | — | US | disclosed |