Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
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 SCHEMBL9741720 | 0.98 | CCR2 (0.36) | CCR2KCNH2HRH3CHRNB4CHRNA3 | |
| SCHEMBL9739274 | 0.90 | CHRNB4 (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9213548 | 0.88 | PDE5A (0.37) | CCR2KCNH2HRH3CHRNB4CHRNA3 | |
| SCHEMBL9214964 | 0.88 | CHRNB4 (0.41) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9215863 | 0.85 | BRD4 (0.40) | CHRNB4CHRNA3CHRM2CHRM1CHRM3 | |
| SCHEMBL9213488 | 0.83 | NAMPT (0.39) | CCR2KCNH2HRH3CHRNB4CHRNA3 | |
| SCHEMBL9212245 | 0.82 | CHRNB4 (0.43) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL9740467 | 0.82 | NAMPT (0.38) | CCR2KCNH2HRH3CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL9739435 | 0.81 | CHRNB4 (0.42) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL9740211 | 0.80 | HRH3 (0.43) | CCR2KCNH2HRH3CHRM2CHRM1 |
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 2 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 |