Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24213539 | 0.80 | PLAU (0.44) | LMNAPLAUALOX15ALDH1A1MAPK1 | |
| SCHEMBL18962609 | 0.78 | LMNA (0.45) | CES2CES1CA1CA2LMNA | |
| SCHEMBL16923685 | 0.78 | TPMT (0.38) | CA1CA2SLC22A2SLC22A1SLC22A3 | |
| SCHEMBL24196737 | 0.78 | IRAK4 (0.30) | IRAK4 | |
| SCHEMBL14538523 | 0.78 | ALDH1A1 (0.40) | CES2CES1LMNASLC22A2SLC22A1 | |
| SCHEMBL15850351 | 0.77 | F2 (0.42) | CES2CES1RECQLALDH1A1MAPK1 | |
| SCHEMBL22084095 | 0.75 | ALDH1A1 (0.47) | CYP2A6ALDH1A1RAB9A | |
| SCHEMBL22334716 | 0.74 | CES2 (0.35) | CES2CES1RECQLOGG1CA1 | |
| SCHEMBL24690353 | 0.74 | HTT (0.47) | LMNAALDH1A1MAPK1 | |
| SCHEMBL13439334 | 0.74 | NQO2 (0.38) | CES2CES1LMNASLC22A2SLC22A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122739-B1 | PYRIDYL PIPERIDINES | MERCK PATENT GMBH (DE) | 2019-01-16 | — | — | EP | disclosed |