Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.37 |
| ▸ | PDE6D | O43924 | 1/20 | 0.37 |
| ▸ | PDE6A | P16499 | 1/20 | 0.37 |
| ▸ | PDE6G | P18545 | 1/20 | 0.37 |
| ▸ | PDE6B | P35913 | 1/20 | 0.37 |
| ▸ | PDE6C | P51160 | 1/20 | 0.37 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.37 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9210508 | 0.88 | CCR2 (0.37) | CCR2KCNH2CHRNB4CHRNA3CHRNB2 | |
| Hydrochloric Acid SCHEMBL9741720 | 0.87 | CCR2 (0.36) | CCR2KCNH2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL9739274 | 0.86 | CHRNB4 (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9214964 | 0.84 | CHRNB4 (0.41) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9216543 | 0.83 | LTA4H (0.39) | PDE5APDE6DPDE6APDE6GPDE6B | |
| Hydrochloric Acid SCHEMBL9739565 | 0.82 | LTA4H (0.38) | PDE5APDE6DPDE6APDE6GPDE6B | |
| SCHEMBL9215863 | 0.81 | BRD4 (0.40) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9212245 | 0.79 | CHRNB4 (0.43) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9213603 | 0.79 | GRM5 (0.38) | PDE5APDE6DPDE6APDE6GPDE6B | |
| Hydrochloric Acid SCHEMBL9213666 | 0.79 | PDE6D (0.37) | PDE5APDE6DPDE6APDE6GPDE6B |
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 |