Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11623789 | 0.82 | HPGD (0.43) | NPC1RAB9ATRPV4 | |
| SCHEMBL25196918 | 0.82 | CYP2A6 (0.38) | TRPV4PIK3CAPIK3CDPIK3CBPI4KA | |
| SCHEMBL30442899 | 0.82 | DGAT1 (0.40) | TRPV4PIK3CAPIK3CDPIK3CBPI4KA | |
| SCHEMBL10177266 | 0.82 | DGAT1 (0.40) | TRPV4PIK3CAPIK3CDPIK3CBPI4KA | |
| SCHEMBL27731893 | 0.81 | NPBWR1 (0.44) | PTGS2PTGS1 | |
| SCHEMBL22166069 | 0.81 | TRPV4 (0.34) | TRPV4PIK3CAPIK3CDPIK3CBPI4KA | |
| SCHEMBL29429388 | 0.81 | NPC1 (0.44) | NPC1RAB9AMAPK1HDAC1HDAC6 | |
| SCHEMBL22165974 | 0.81 | NPC1 (0.44) | NPC1RAB9AMAPK1HDAC1HDAC6 | |
| SCHEMBL11621764 | 0.78 | CCNC (0.40) | PDK2 | |
| SCHEMBL11625195 | 0.77 | NPY5R (0.47) | NPC1RAB9APTGS2TDO2HPGDS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012081736-A1 | CONTINUOUS ARYCYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-06-21 | — | — | WO | disclosed |
| US-4125530-A | FROM 1,1-DIHALO-3,3,3-TRIFLUOROACETONE, BASE, AMMONIA AND A CARBOXALDEHYDE | MERCK & CO., INC. (US) | 1978-11-14 | — | — | US | disclosed |
| US-4032522-A | ANTI-GOUT, ANTI-HYPERURICEMIC | MERCK & CO., INC. (US) | 1977-06-28 | — | — | US | disclosed |