Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4700343 | 0.83 | CDK8 (0.43) | CDK1SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL3081036 | 0.83 | TSHR (0.36) | CDK1SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL4701505 | 0.80 | SIGMAR1 (0.40) | SIGMAR1MEN1KMT2AALDH1A1TP53 | |
| SCHEMBL4704492 | 0.76 | SMYD2 (0.39) | CDK1SIGMAR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4686422 | 0.76 | CDK1 (0.34) | CDK1MEN1KMT2AALDH1A1CYP2C19 | |
| SCHEMBL320553 | 0.76 | TDP1 (0.41) | CDK1SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL4704482 | 0.74 | MEN1 (0.44) | MEN1KMT2AALDH1A1MAPTHSP90AA1 | |
| SCHEMBL1246997 | 0.73 | CDK1 (0.47) | CDK1SIGMAR1ALDH1A1MAPTTSHR | |
| SCHEMBL1751745 | 0.72 | SIGMAR1 (0.34) | CDK1SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL3087044 | 0.72 | CDK8 (0.41) | CDK1SIGMAR1MEN1KMT2AALDH1A1 |
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-1893578-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006129237-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-07 | — | — | WO | disclosed |