Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4394743 | 0.98 | CES2 (0.47) | CES2CES1PTGS1IDO1SRD5A2 | |
| SCHEMBL15469413 | 0.84 | ESR1 (0.47) | CES2CES1PTGS1IDO1ALDH1A1 | |
| SCHEMBL2849627 | 0.82 | MPO (0.39) | ALDH1A1PLAU | |
| SCHEMBL2314418 | 0.81 | CES2 (0.50) | CES2CES1PTGS1SRD5A2PTPN1 | |
| SCHEMBL10285693 | 0.79 | CES2 (0.48) | CES2CES1PTGS1IDO1SRD5A2 | |
| SCHEMBL30388464 | 0.79 | CES2 (0.48) | CES2CES1PTGS1SRD5A2PTPN1 | |
| SCHEMBL4396979 | 0.77 | CES2 (0.55) | CES2PTGS1IDO1SRD5A2ALDH1A1 | |
| SCHEMBL182755 | 0.77 | CES2 (0.61) | CES2CES1PTGS1SRD5A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4400848 | 0.76 | CES2 (0.53) | CES2PTGS1IDO1SRD5A2ALDH1A1 | |
| SCHEMBL2949849 | 0.76 | MAOA (0.45) | CES2CES1IDO1ALDH1A1PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021150700-A1 | N-SUBSTITUTED-3-TRICYCLYL PIPERIDINE DERIVATIVES AS ANTICANCER AND NEUROPROTECTIVE AGENTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2021-07-29 | — | — | WO | disclosed |
| CN-101321525-B | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE | 2013-01-30 | — | — | CN | disclosed |
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |
| CN-101321525-A | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-12-10 | — | — | CN | disclosed |