Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4149507 | 0.90 | ALDH1A1 (0.42) | CYP2C19ALDH1A1TSHRCASP1OPRM1 | |
| SCHEMBL12683554 | 0.79 | CYP2C19 (0.54) | CYP2C19ALDH1A1MMETSHRLMNA | |
| SCHEMBL30879561 | 0.79 | CYP2C19 (0.58) | CYP2C19ALDH1A1MMETSHRLMNA | |
| SCHEMBL6307086 | 0.78 | CYP2C19 (0.48) | CYP2C19MMELMNACYP4F2CYP4A11 | |
| Hydrochloric Acid SCHEMBL19552410 | 0.78 | CYP2C19 (0.52) | CYP2C19ALDH1A1MMETSHRLMNA | |
| SCHEMBL1127363 | 0.77 | CYP2C19 (0.47) | CYP2C19ALDH1A1MMETSHRLMNA | |
| SCHEMBL600490 | 0.77 | CYP2C19 (0.47) | CYP2C19ALDH1A1MMETSHRLMNA | |
| SCHEMBL2330216 | 0.77 | CYP2C19 (0.47) | CYP2C19MMELMNATBXAS1 | |
| SCHEMBL13165680 | 0.77 | TSHR (0.41) | ALDH1A1TSHRCASP1OPRM1OPRL1 | |
| SCHEMBL16058545 | 0.77 | CYP2C19 (0.50) | CYP2C19MMECYP4F2CYP4A11TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5276944-A | — | — | None | — | — | JP | disclosed |
| JP-5176779-A | — | — | None | — | — | JP | disclosed |
| JP-H05276944-A | ACETYLAMINOMETHYLCYCLOHEXANECARBOXYLIC ACID ESTER AMIDE HYDROLASE AND ITS PRODUCTION | TOKUYAMA SODA CO LTD | 1993-10-26 | — | — | JP | disclosed |
| JP-H05176779-A | PRODUCTION OF CYCLOHEXANECARBOXYLIC ACID DERIVATIVE | TOKUYAMA SODA CO LTD | 1993-07-20 | — | — | JP | disclosed |