Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 9/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4508922 | 0.82 | MCHR1 (0.50) | NPC1RAB9AKDM4EALDH1A1MCHR1 | |
| SCHEMBL12440536 | 0.77 | KDM4E (0.55) | KDM4EALDH1A1MCHR1HRH3CHEK1 | |
| SCHEMBL12441452 | 0.76 | KDM4E (0.58) | KDM4EALDH1A1MCHR1HRH3CHEK1 | |
| SCHEMBL12440591 | 0.75 | MCHR1 (0.52) | NPC1RAB9AKDM4EALDH1A1MCHR1 | |
| SCHEMBL12440639 | 0.74 | MCHR1 (0.48) | MCHR1HTR6CHRM1HTR2A | |
| SCHEMBL12440662 | 0.74 | HRH3 (0.57) | KDM4EALDH1A1MCHR1HRH3HRH4 | |
| SCHEMBL12440034 | 0.72 | KDM4E (0.60) | KDM4EALDH1A1MCHR1HRH3HTR2C | |
| SCHEMBL12440303 | 0.71 | NPC1 (0.47) | NPC1RAB9AKDM4EALDH1A1MCHR1 | |
| SCHEMBL12440554 | 0.70 | CHKA (0.47) | KDM4EALDH1A1MCHR1HRH3HRH4 | |
| SCHEMBL2328668 | 0.70 | MCHR1 (0.67) | MCHR1CHRM1HTR2A |
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-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |
| 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 |