Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | LSS | P48449 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12440113 | 0.81 | MCHR1 (0.60) | MCHR1CHRM1HTR2AHRH3CYP2D6 | |
| SCHEMBL2325485 | 0.81 | MCHR1 (0.54) | KDM4EALDH1A1NPC1RAB9AMCHR1 | |
| SCHEMBL12441354 | 0.81 | NPC1 (0.51) | KDM4ENPC1RAB9AMCHR1HTR2C | |
| SCHEMBL10039087 | 0.80 | BACE1 (0.62) | KDM4EALDH1A1NPC1RAB9ABACE1 | |
| SCHEMBL12440591 | 0.78 | MCHR1 (0.52) | KDM4EALDH1A1NPC1RAB9AMCHR1 | |
| SCHEMBL12440381 | 0.77 | MCHR1 (0.52) | NPC1RAB9AMCHR1HTR2CKCNH2 | |
| SCHEMBL12440034 | 0.77 | KDM4E (0.60) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL11610713 | 0.77 | ALDH1A1 (0.88) | KDM4EALDH1A1MCHR1CHRM1HTR2A | |
| SCHEMBL12441623 | 0.76 | MAP4K4 (0.60) | MCHR1CHRM1HTR2AHRH3BACE1 | |
| SCHEMBL27110695 | 0.74 | POLB (0.53) | KDM4EALDH1A1NPC1RAB9AHRH4 |
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 |