Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8018813 | 0.84 | NPSR1 (0.42) | L3MBTL1PARP1KMT2AMEN1KCNK3 | |
| SCHEMBL8022336 | 0.76 | GRM2 (0.52) | CES2CES1L3MBTL1PARP1KMT2A | |
| SCHEMBL8018983 | 0.73 | L3MBTL1 (0.39) | CES2CES1L3MBTL1KMT2AMEN1 | |
| SCHEMBL8018575 | 0.71 | MAPK1 (0.52) | CES2CES1L3MBTL1KMT2AMEN1 | |
| SCHEMBL8018669 | 0.70 | OPRM1 (0.38) | CES2CES1L3MBTL1KMT2AMEN1 | |
| SCHEMBL27512363 | 0.69 | L3MBTL1 (0.44) | CES2CES1L3MBTL1PARP1KMT2A | |
| SCHEMBL27514447 | 0.68 | ALDH1A1 (0.43) | L3MBTL1KMT2AMEN1KCNK3NPC1 | |
| SCHEMBL69483 | 0.67 | CES2 (0.68) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL12444117 | 0.67 | CES2 (0.68) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL8008096 | 0.66 | KMO (0.55) | CES2CES1L3MBTL1PARP1KMT2A |
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-0973720-A1 | 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES | PHARMACIA & UPJOHN S.p.A. (IT) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998040344-A1 | 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-09-17 | — | — | WO | disclosed |