Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8018811 | 0.83 | NPSR1 (0.43) | PARP1GRM5KMT2AALDH1A1CYP2C19 | |
| SCHEMBL8025122 | 0.83 | MEN1 (0.42) | PARP1KMT2ANPC1RAB9AHTT | |
| SCHEMBL8008096 | 0.79 | KMO (0.55) | CES2CES1PARP1GRM5KMT2A | |
| SCHEMBL8018509 | 0.76 | KMO (0.64) | HDAC1HDAC6TSHR | |
| SCHEMBL4224819 | 0.76 | ESR1 (0.55) | CES2CES1PARP1KMT2ANPC1 | |
| SCHEMBL30437641 | 0.76 | ESR1 (0.55) | CES2CES1PARP1KMT2ANPC1 | |
| SCHEMBL4487414 | 0.75 | MEN1 (0.47) | KMT2AHDAC1ALDH1A1PLA2G7CYP2C9 | |
| SCHEMBL8018985 | 0.73 | OPRM1 (0.39) | CES2CES1PARP1GRM5KMT2A | |
| SCHEMBL10132254 | 0.71 | UCHL1 (0.53) | KMT2ANPC1ALDH1A1MEN1LMNA | |
| SCHEMBL2146383 | 0.71 | HSD11B1 (0.54) | KMT2AALDH1A1CYP2C9CYP2C19MEN1 |
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 |