Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7310889 | 0.98 | CHRM2 (0.49) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL4479682 | 0.84 | CHRM2 (0.46) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL4479687 | 0.84 | CHRM2 (0.46) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL4477292 | 0.81 | CHRM2 (0.49) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL2841484 | 0.81 | CHRM2 (0.49) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL2841486 | 0.81 | CHRM2 (0.49) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL1513400 | 0.79 | DRD2 (0.62) | OPRK1OPRM1OPRD1DRD2DRD4 | |
| SCHEMBL11545113 | 0.79 | CHRM2 (0.47) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL11545110 | 0.79 | CHRM2 (0.47) | CHRM2CHRM4CHRM5KCNH2OPRK1 | |
| SCHEMBL4487545 | 0.78 | DRD2 (0.47) | CHRM2CHRM4CHRM5KCNH2OPRK1 |
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-0337547-B1 | Spirocyclic compounds incorporating five-membered rings with two heteroatoms | MERCK SHARP & DOHME (GB) | 1994-03-02 | — | — | EP | disclosed |
| US-4940703-A | Spirocyclic compounds incorporating five-membered rings with two heteroatoms for treating psychotic disorders, etc. | MERCK SHARP & DOHME LIMITED (GB) | 1990-07-10 | — | — | US | disclosed |
| EP-0337547-A1 | Spirocyclic compounds incorporating five-membered rings with two heteroatoms | MERCK SHARP & DOHME LTD. (GB) | 1989-10-18 | — | — | EP | disclosed |