Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 7/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4760786 | 0.80 | KDM4E (0.38) | MTNR1AMTNR1BKDM4EMAPK1HIF1A | |
| SCHEMBL21081993 | 0.79 | TGFBR1 (0.35) | — | |
| Potassium Ion SCHEMBL21081961 | 0.79 | TGFBR1 (0.35) | — | |
| SCHEMBL28377037 | 0.79 | TGFBR1 (0.35) | — | |
| SCHEMBL6572287 | 0.78 | KDM4E (0.37) | MTNR1AMTNR1BKDM4EMAPK1HIF1A | |
| SCHEMBL28413012 | 0.78 | MEN1 (0.36) | CA12CA1CA2CA9 | |
| SCHEMBL10062233 | 0.76 | MTNR1A (0.44) | MTNR1AMTNR1BNPC1KDM4EMAPK1 | |
| Potassium Ion SCHEMBL29814373 | 0.75 | TSHR (0.39) | MAPK1 | |
| SCHEMBL8715135 | 0.75 | TSHR (0.39) | MAPK1 | |
| SCHEMBL22273185 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051393-B1 | NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS | MERCK SANTE SAS (FR) | 2003-10-01 | — | — | EP | claimed |
| US-6265437-B1 | ALCOHOLISM | LIPHA (FR) | 2001-07-24 | — | — | US | claimed |
| EP-1056445-B1 | ORALLY ADMINISTRABLE IMMEDIATE-RELEASE AND PROLONGED-RELEASE GALENIC FORM COMPRISING AN ABSORPTION-PROMOTING AGENT AND USE OF THIS ABSORPTION-PROMOTING AGENT | MERCK PATENT GMBH (DE) | 2004-06-02 | — | — | EP | disclosed |
| EP-1410791-A1 | Orally administrable galenic form comprising metformine and an absorption-promoting agent | MERCK PATENT GmbH (DE) | 2004-04-21 | — | — | EP | disclosed |
| US-6514524-B1 | Improved absorption of hydrophilic ingredients because of particular excipients; calcium 3-acetylamino-1-propane sulfonate (calcium acamprosate); polysorbates, fatty ethers or esters of PEG, polyglycolysed glycerides | MERCK PATENTGESELLSCHAFT MIT (DE) | 2003-02-04 | — | — | US | disclosed |
| US-6426087-B1 | GALENIC FORMS; SUSTAINED RELEASE | MERCK PATENT GESELLSCHAFT MIT (DE) | 2002-07-30 | — | — | US | disclosed |
| US-6265437-B1 | ALCOHOLISM | LIPHA (FR) | 2001-07-24 | — | — | US | disclosed |