Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MLLT1 | Q03111 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 5/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2325879 | 0.82 | MCHR1 (0.56) | ALDH1A1HPGDHSD17B10KDM4EMLLT1 | |
| SCHEMBL13894921 | 0.81 | GFER (0.56) | ALDH1A1HPGDKDM4EMCHR1HRH4 | |
| SCHEMBL13894938 | 0.80 | GFER (0.58) | ALDH1A1HPGDKDM4EMCHR1HRH4 | |
| SCHEMBL13894864 | 0.79 | GFER (0.53) | HPGDMCHR1HRH4ACHECNR2 | |
| SCHEMBL12440672 | 0.76 | NPC1 (0.53) | HTTMCHR1HTR2CCNR2 | |
| SCHEMBL12440591 | 0.76 | MCHR1 (0.52) | ALDH1A1KDM4EMCHR1HTR2CHRH4 | |
| SCHEMBL12440034 | 0.76 | KDM4E (0.60) | ALDH1A1KDM4EMCHR1HTR2CHRH4 | |
| SCHEMBL12440381 | 0.76 | MCHR1 (0.52) | HTTMCHR1HTR2CCNR2 | |
| SCHEMBL13894857 | 0.75 | HTR3E (0.51) | ALDH1A1HPGDHSD17B10KDM4EMCHR1 | |
| SCHEMBL13894853 | 0.75 | MCHR1 (0.42) | MCHR1HRH4 |
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 |