Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020166 | 0.85 | MAPK1 (0.52) | CYP2C19MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8018575 | 0.85 | MAPK1 (0.52) | CYP2C19MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8018891 | 0.81 | SMN1; SMN2 (0.38) | CYP2C19SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL8017815 | 0.74 | PARP1 (0.47) | CYP2C19SMN1; SMN2KMT2AALDH1A1GAA | |
| SCHEMBL8025124 | 0.71 | SMN1; SMN2 (0.41) | CYP2C19SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL1740252 | 0.70 | MAPK1 (0.60) | CYP2C19MAPK1FAAHKMT2AALDH1A1 | |
| SCHEMBL4652925 | 0.69 | SMN1; SMN2 (0.71) | CYP2C19SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL17336679 | 0.69 | SMN1; SMN2 (0.64) | CYP2C19SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL7417055 | 0.69 | MAPK1 (1.00) | CYP2C19MAPK1FAAHKMT2AALDH1A1 | |
| SCHEMBL27536880 | 0.68 | PARP1 (0.43) | CYP2C19MAPK1SMN1; SMN2NPC1RAB9A |
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 |