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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.48 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | BCL9 | O00512 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6325898 | 1.00 | KMT2A (0.54) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL3192403 | 1.00 | KMT2A (0.54) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL1249882 | 1.00 | KMT2A (0.54) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL9780310 | 1.00 | KMT2A (0.54) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL133846 | 1.00 | KMT2A (0.54) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL3063106 | 1.00 | KMT2A (0.54) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL7191365 | 0.98 | KMT2A (0.52) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| Potassium Ion SCHEMBL6902487 | 0.97 | KMT2A (0.54) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL8820326 | 0.92 | KMT2A (0.48) | KMT2ASMN1; SMN2CA2NR1I2NPC1 | |
| SCHEMBL31314548 | 0.92 | KMT2A (0.48) | KMT2ASMN1; SMN2CA2NR1I2NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1704217-A1 | ORGANIC CATALYST SYSTEM | The Procter and Gamble Company (US) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005073360-A1 | ORGANIC CATALYST SYSTEM | THE PROCTER & GAMBLE COMPANY (US) | 2005-08-11 | — | — | WO | disclosed |
| US-20050159327-A1 | Organic catalyst system | THE PROCTER & GAMBLE COMPANY | 2005-07-21 | — | — | US | disclosed |