Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680581 | 0.87 | PDPK1 (0.52) | POLBKMT2AERCC5FEN1L3MBTL1 | |
| SCHEMBL6678464 | 0.84 | POLB (0.46) | PTGS1PTGS2POLBKMT2AGSK3B | |
| SCHEMBL6678491 | 0.84 | MEN1 (0.47) | PTGS1PTGS2KMT2ACYP19A1PDPK1 | |
| SCHEMBL6676795 | 0.83 | NPC1 (0.55) | KMT2AGSK3BL3MBTL1CYP2C9CYP2C19 | |
| SCHEMBL6676780 | 0.79 | RAB9A (0.49) | PTGS1PTGS2POLBKMT2AL3MBTL1 | |
| SCHEMBL6673822 | 0.76 | ALDH1A1 (0.51) | KMT2AERCC5FEN1L3MBTL1PDPK1 | |
| SCHEMBL6674606 | 0.73 | NPC1 (0.57) | POLBKMT2AGSK3BPDPK1LMNA | |
| SCHEMBL6675046 | 0.72 | PDPK1 (0.55) | POLBKMT2AL3MBTL1PDPK1CYP2C9 | |
| SCHEMBL6680589 | 0.71 | PDPK1 (0.53) | POLBKMT2AL3MBTL1PDPK1CYP2C9 | |
| SCHEMBL8529364 | 0.71 | POLB (0.53) | POLBKMT2AL3MBTL1PDPK1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1204636-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2002-05-15 | — | — | EP | claimed |
| WO-2001014327-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2001-03-01 | — | — | WO | claimed |
| EP-1204636-B1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM IP ASSETS BV (NL) | 2004-10-27 | — | — | EP | disclosed |
| US-6639103-B1 | Enantiomerically enriched forms; resolving amino functiona-lized enantiomers | DSM N.V. (NL) | 2003-10-28 | — | — | US | disclosed |