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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GRK2 | P25098 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7026914 | 0.80 | KDM4E (0.38) | SMN1; SMN2HSD17B10KDM4EMAPK1HIF1A | |
| SCHEMBL4760790 | 0.78 | KDM4E (0.37) | SMN1; SMN2HSD17B10KDM4EMAPK1HIF1A | |
| SCHEMBL13290414 | 0.77 | KDM4E (0.40) | L3MBTL1LMNASMN1; SMN2HSD17B10KDM4E | |
| Lithium Ion SCHEMBL28457857 | 0.75 | TSHR (0.39) | POLBGRK2L3MBTL1APAF1DNMT1 | |
| SCHEMBL21915798 | 0.71 | PAOX (0.38) | L3MBTL1MEN1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL8436372 | 0.70 | KDM4E (0.39) | L3MBTL1LMNASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL13290400 | 0.70 | KDM4E (0.39) | L3MBTL1SMN1; SMN2HSD17B10KDM4EMAPK1 | |
| SCHEMBL22826041 | 0.69 | MMP8 (0.32) | SMN1; SMN2HSD17B10KDM4EMAPK1HIF1A | |
| SCHEMBL21452807 | 0.69 | SMN1; SMN2 (0.41) | L3MBTL1LMNASMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL21477756 | 0.69 | KDM4E (0.37) | L3MBTL1LMNASMN1; SMN2HSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| JP-4156795-B2 | — | — | 2008-09-24 | — | — | JP | claimed |
| 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 |
| JP-2002501040-A | — | — | 2002-01-15 | — | — | JP | claimed |
| US-6265437-B1 | ALCOHOLISM | LIPHA (FR) | 2001-07-24 | — | — | US | claimed |
| EP-1051393-A1 | NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS | LIPHA (FR) | 2000-11-15 | — | — | EP | claimed |
| WO-1999037606-A1 | NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS | LIPHA (FR) | 1999-07-29 | — | — | WO | claimed |
| US-6265437-B1 | ALCOHOLISM | LIPHA (FR) | 2001-07-24 | — | — | US | disclosed |