Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440218 | 0.89 | MCHR1 (0.45) | CHKAMCHR1KDM4EALDH1A1CHRM1 | |
| SCHEMBL12440536 | 0.87 | KDM4E (0.55) | MCHR1KDM4EALDH1A1CHRM1HTR2A | |
| SCHEMBL12441452 | 0.86 | KDM4E (0.58) | MCHR1KDM4EALDH1A1CHRM1HTR2A | |
| SCHEMBL13920749 | 0.81 | MCHR1 (0.55) | CHKAMCHR1KDM4EALDH1A1CYP2A13 | |
| SCHEMBL12440426 | 0.79 | HRH3 (0.57) | MCHR1KDM4EALDH1A1HRH3LSS | |
| SCHEMBL12440425 | 0.78 | MCHR1 (0.58) | EPHX2MCHR1KDM4EALDH1A1CHRM1 | |
| SCHEMBL12440662 | 0.74 | HRH3 (0.57) | MCHR1KDM4EALDH1A1CHRM1HTR2A | |
| SCHEMBL12441461 | 0.73 | MCHR1 (0.57) | CHKAMCHR1SIGMAR1CHRM1HTR2A | |
| SCHEMBL12440632 | 0.72 | MCHR1 (0.43) | CHKAMCHR1KDM4EALDH1A1POLB | |
| SCHEMBL12440034 | 0.72 | KDM4E (0.60) | MCHR1KDM4EALDH1A1CHRM1HTR2A |
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 |