Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | PTAFR | P25105 | 6/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 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 SCHEMBL9742540 | 0.93 | CHRNB4 (0.49) | ABCB1ABCG2CHRM2CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL9740675 | 0.92 | CHRNB2 (0.45) | ABCB1ABCG2PTAFRCHRNB2CHRNB4 | |
| SCHEMBL9209351 | 0.84 | CHRNB4 (0.46) | ABCB1ABCG2CHRM2CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL9740808 | 0.83 | CHRNB4 (0.45) | ABCB1ABCG2CHRM2CHRNB2CHRNB4 | |
| SCHEMBL9214021 | 0.83 | CHRNB4 (0.43) | ABCB1ABCG2CHRM2CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL9740211 | 0.82 | HRH3 (0.43) | CHRM2CHRM1CHRM3 | |
| SCHEMBL9215863 | 0.81 | BRD4 (0.40) | ABCB1CHRM2CHRM1CHRM3CHRNB2 | |
| Hydrochloric Acid SCHEMBL9208814 | 0.81 | CHRNB4 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9214611 | 0.80 | PTGER2 (0.48) | CHRM2CHRM1CHRM3 | |
| SCHEMBL9211758 | 0.80 | PDE4B (0.48) | ABCB1CHRNB2CHRNB4CHRNA3CHRNA4 |
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-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |