Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12441354 | 0.85 | NPC1 (0.51) | NPC1RAB9ASOS1POLBHTT | |
| SCHEMBL2322397 | 0.82 | MCHR1 (0.56) | NPC1RAB9ASOS1CYP2D6MCHR1 | |
| SCHEMBL12440592 | 0.76 | ALDH1A1 (0.54) | HTTMCHR1HTR2CCNR2 | |
| SCHEMBL12440591 | 0.76 | MCHR1 (0.52) | NPC1RAB9ACYP2D6CYP2C19MCHR1 | |
| SCHEMBL12440034 | 0.76 | KDM4E (0.60) | CYP2D6CYP2C19MCHR1HTR2CCNR2 | |
| SCHEMBL12440381 | 0.76 | MCHR1 (0.52) | NPC1RAB9APOLBHTTSMN1; SMN2 | |
| SCHEMBL2328403 | 0.72 | NPC1 (0.46) | NPC1RAB9ASOS1POLBHTT | |
| SCHEMBL12440005 | 0.71 | HRH3 (0.55) | RAB9AMCHR1HRH3 | |
| SCHEMBL2328520 | 0.71 | PIM1 (0.47) | NPC1RAB9ASOS1SMN1; SMN2HDAC6 | |
| SCHEMBL4508812 | 0.71 | SOS1 (0.45) | NPC1RAB9ASOS1HTTTMEM97 |
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 |