Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008104 | 0.80 | KMO (0.55) | KMOPARP1ALDH1A1PARP10TDP1 | |
| SCHEMBL11363742 | 0.80 | KMO (0.55) | KMOPARP1HDAC1ALDH1A1PARP10 | |
| SCHEMBL16506712 | 0.80 | KMO (0.64) | KMOPARP1GRM5ALDH1A1PARP10 | |
| SCHEMBL8008231 | 0.80 | KMO (0.64) | KMOPARP1GRM5ALDH1A1PARP10 | |
| SCHEMBL11363746 | 0.80 | KMO (0.55) | KMOPARP1HDAC1ALDH1A1PARP10 | |
| SCHEMBL16521477 | 0.80 | KMO (0.58) | KMOCES2CES1PARP1ALDH1A1 | |
| SCHEMBL11374054 | 0.80 | KMO (0.58) | KMOCES2CES1PARP1ALDH1A1 | |
| SCHEMBL8775309 | 0.80 | KMO (0.58) | KMOCES2CES1PARP1ALDH1A1 | |
| SCHEMBL8007793 | 0.79 | CES2 (0.44) | CES2CES1PARP1GRM5HDAC1 | |
| SCHEMBL11364726 | 0.79 | KMO (0.57) | KMOCES2CES1ALDH1A1HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1252049-A | 2-substituted benzoyl-cycloalkyl-1-carboxylic acid derivatives | PHARMACEUTICA & UPJOHN S P A (IT) | 2000-05-03 | — | — | CN | claimed |
| CN-1252049-A | 2-substituted benzoyl-cycloalkyl-1-carboxylic acid derivatives | PHARMACEUTICA & UPJOHN S P A (IT) | 2000-05-03 | — | — | CN | disclosed |
| 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 |