Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5185325 | 0.95 | ACP3 (0.54) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL3905843 | 0.92 | CES2 (0.44) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL17593410 | 0.90 | CES2 (0.47) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL4749525 | 0.89 | CES2 (0.46) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL7555691 | 0.89 | CES2 (0.46) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL9602349 | 0.86 | KIF11 (0.48) | ACP3CES2PNMTTSHR | |
| SCHEMBL5990120 | 0.85 | CES2 (0.43) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL11050404 | 0.85 | MAOB (0.47) | ACP3CES2IDO1TDO2 | |
| SCHEMBL7502772 | 0.85 | PNMT (0.42) | ACP3CES2PNMTIDO1TDO2 | |
| SCHEMBL15331089 | 0.85 | ACP3 (0.50) | ACP3CES2PNMTIDO1TDO2 |
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-1098893-B1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | disclosed |
| US-6528538-B1 | Reaction of 1,3-propanediol derivative with a ketone or aldehyde | MERCK PATENTGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |