Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 9/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.53 |
| ▸ | HTR2A | P28223 | 5/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | LSS | P48449 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL12441452 | 0.99 | KDM4E (0.58) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL12440426 | 0.88 | HRH3 (0.57) | KDM4EALDH1A1MCHR1HRH3LSS | |
| SCHEMBL12440554 | 0.87 | CHKA (0.47) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL12440425 | 0.85 | MCHR1 (0.58) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL12440218 | 0.85 | MCHR1 (0.45) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL12441461 | 0.85 | MCHR1 (0.57) | MCHR1CHRM1HTR2AHRH3HRH4 | |
| SCHEMBL12440662 | 0.83 | HRH3 (0.57) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL12441111 | 0.82 | LSS (0.41) | MCHR1CHRM1HTR2AHRH3LSS | |
| SCHEMBL12440034 | 0.82 | KDM4E (0.60) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL12441459 | 0.80 | MCHR1 (0.70) | KDM4EALDH1A1MCHR1CHRM1HTR2A |
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 1 patent. 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 |