Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.51 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 7/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30022336 | 0.83 | HTR2A (0.65) | GPR84HTR2ATRPM8CYP1A2CYP3A4 | |
| SCHEMBL734595 | 0.83 | HTR2C (0.57) | GPR84CSNK2A1HTR2ATRPM8SLC6A4 | |
| SCHEMBL7843782 | 0.83 | HTR2A (0.65) | GPR84HTR2ATRPM8CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7681061 | 0.81 | HTR2A (0.63) | GPR84HTR2ATRPM8CYP1A2CYP3A4 | |
| SCHEMBL17833262 | 0.78 | GPR84 (0.53) | GPR84CSNK2A1HTR2ATRPM8SLC6A4 | |
| SCHEMBL10847339 | 0.78 | GPR84 (0.49) | GPR84CSNK2A1HTR2ATRPM8SLC6A4 | |
| SCHEMBL30776143 | 0.76 | GPR84 (0.44) | GPR84CSNK2A1HTR2ATRPM8SLC6A4 | |
| SCHEMBL23259348 | 0.74 | HTR2A (0.54) | GPR84CSNK2A1HTR2ASLC6A4CYP1A2 | |
| SCHEMBL15647319 | 0.74 | KDM4E (0.54) | GPR84CSNK2A1HTR2ASLC6A4CYP3A4 | |
| SCHEMBL31440911 | 0.74 | GPR84 (0.45) | GPR84CSNK2A1HTR2ATRPM8SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0648767-B1 | Piperdine and piperazine derivatives which affect the C.N.S. | MERCK PATENT GMBH (DE) | 1997-05-28 | — | — | EP | disclosed |
| US-5532241-A | Piperidines and piperazines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | disclosed |
| CN-1106811-A | Piperidines and piperazines | MERCK PATENG GES MIT BESCHRAEN (DE) | 1995-08-16 | — | — | CN | disclosed |
| EP-0648767-A1 | Piperdine and piperazine derivatives which affect the C.N.S. | MERCK PATENT GmbH (DE) | 1995-04-19 | — | — | EP | disclosed |