Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | LSS | P48449 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440034 | 0.88 | KDM4E (0.60) | MCHR1HTR2CKDM4EALDH1A1HRH4 | |
| SCHEMBL12440381 | 0.82 | MCHR1 (0.52) | MCHR1HTR2CNPC1RAB9A | |
| SCHEMBL2328668 | 0.80 | MCHR1 (0.67) | MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL12440303 | 0.78 | NPC1 (0.47) | MCHR1HTR2CKDM4EALDH1A1NPC1 | |
| SCHEMBL12440663 | 0.78 | KDM4E (0.53) | MCHR1HTR2CKDM4EALDH1A1NPC1 | |
| SCHEMBL2926180 | 0.77 | MCHR1 (0.82) | MCHR1HTR2CALDH1A1NPC1RAB9A | |
| SCHEMBL12441494 | 0.77 | MCHR1 (0.67) | MCHR1HTR2CHRH3CYP2D6CHRM1 | |
| SCHEMBL2921113 | 0.77 | MCHR1 (0.80) | MCHR1HTR2CALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL12440592 | 0.76 | ALDH1A1 (0.54) | MCHR1HTR2CKDM4EALDH1A1HRH4 | |
| SCHEMBL12440672 | 0.76 | NPC1 (0.53) | MCHR1HTR2CNPC1RAB9AHRH3 |
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 |