Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | LSS | P48449 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14767409 | 0.89 | HRH3 (0.55) | HRH3ALDH1A1CYP2D6HRH4 | |
| SCHEMBL12440536 | 0.83 | KDM4E (0.55) | HRH3MCHR1CHRM1HTR2AKDM4E | |
| SCHEMBL12441452 | 0.82 | KDM4E (0.58) | HRH3MCHR1CHRM1HTR2AKDM4E | |
| SCHEMBL12440111 | 0.80 | KDM4E (0.54) | HRH3MCHR1CHRM1HTR2AKDM4E | |
| SCHEMBL12441081 | 0.79 | LTA4H (0.69) | HRH3MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL12440034 | 0.79 | KDM4E (0.60) | HRH3MCHR1CHRM1HTR2AKDM4E | |
| SCHEMBL3031580 | 0.78 | HRH3 (0.78) | HRH3KDM4EALDH1A1 | |
| SCHEMBL4518130 | 0.78 | MCHR1 (0.62) | HRH3MCHR1CHRM1HTR2AKDM4E | |
| SCHEMBL12441461 | 0.77 | MCHR1 (0.57) | HRH3MCHR1CHRM1HTR2AHRH4 | |
| SCHEMBL12440114 | 0.76 | LSS (0.47) | HRH3MCHR1CHRM1HTR2AKDM4E |
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-2357173-A1 | New alkyne compounds with MCH-antagonistic activity and medicaments containing them | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-7452911-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2008-11-18 | — | — | US | disclosed |