Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TYMP | P19971 | 1/20 | 0.43 |
| ▸ | FURIN | P09958 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5804634 | 1.00 | CES2 (0.52) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL28530493 | 0.89 | CTSL (0.50) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL28128094 | 0.82 | PARP1 (0.52) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL18620052 | 0.82 | PARP1 (0.52) | CES2CES1PARP1PTGS1PTGS2 | |
| Fluorobenzene SCHEMBL28231988 | 0.81 | CA9 (0.44) | CASP3GFERSENP8SENP7SENP6 | |
| SCHEMBL14243296 | 0.79 | CES2 (0.47) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL2011191 | 0.78 | CES2 (0.56) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL15761187 | 0.78 | NPSR1 (0.47) | CES2CES1CASP3GFERSENP8 | |
| SCHEMBL8761571 | 0.78 | CES2 (0.60) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL17133975 | 0.78 | NPSR1 (0.47) | CES2CES1CASP3GFERSENP8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242426-B1 | GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS | MERCK & CO INC (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006064340-A2 | PROCESS FOR THE PREPARATION OF N-ACYL BETA-AMINOALDEHYDES | PFIZER LIMITED (GB) | 2006-06-22 | — | — | WO | disclosed |