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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | PKLR | P30613 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.30 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.30 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL150811 | 0.78 | HTR6 (0.38) | CA2CA9 | |
| SCHEMBL8387010 | 0.76 | HTR6 (0.31) | CA2CA9 | |
| SCHEMBL1726647 | 0.74 | — | — | |
| SCHEMBL77668 | 0.74 | PTGS2 (0.33) | — | |
| SCHEMBL219484 | 0.74 | TSHR (0.42) | CA2LMNATDP1 | |
| SCHEMBL1727931 | 0.74 | ELANE (0.38) | — | |
| SCHEMBL76930 | 0.74 | CA2 (0.42) | CA12CA2CA9LMNA | |
| SCHEMBL6135776 | 0.74 | — | — | |
| SCHEMBL600073 | 0.74 | ALDH1A1 (0.42) | TDP1 | |
| SCHEMBL9012684 | 0.74 | LMNA (0.34) | LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1233994-A2 | COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS | Rhodia, Inc. (US) | 2002-08-28 | — | — | EP | claimed |
| WO-2001038467-A2 | COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS | RHODIA, INC. (US) | 2001-05-31 | — | — | WO | claimed |
| US-20050130862-A1 | Copolyesteramides and the use thereof as a soil release agent | RHODIA CHIMIE (FR) | 2005-06-16 | — | — | US | disclosed |
| EP-1233994-A2 | COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS | Rhodia, Inc. (US) | 2002-08-28 | — | — | EP | disclosed |
| WO-2001038467-A2 | COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS | RHODIA, INC. (US) | 2001-05-31 | — | — | WO | disclosed |
| US-3968137-A | POLYMER INTERMEDIATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-07-06 | — | — | US | disclosed |