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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA known ✓ | P10827 | 2/20 | 0.55 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.55 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.48 |
| ▸ | HSD17B3 | P37058 | 7/20 | 0.63 |
| ▸ | STS | P08842 | 5/20 | 0.58 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27558787 | 1.00 | HSD17B3 (0.63) | HSD17B3STSTHRATHRBHTR7 | |
| SCHEMBL31344423 | 0.88 | ALDH1A1 (0.57) | HSD17B3STSTHRATHRBCA2 | |
| SCHEMBL10497062 | 0.85 | HSD17B3 (0.65) | HSD17B3STSTHRATHRBHTR7 | |
| SCHEMBL28422360 | 0.85 | HSD17B3 (0.65) | HSD17B3STSTHRATHRBHTR7 | |
| SCHEMBL13085847 | 0.84 | HSD17B3 (0.85) | HSD17B3STSTHRATHRBHTR7 | |
| SCHEMBL13085794 | 0.84 | HSD17B3 (0.85) | HSD17B3STSTHRATHRBHTR7 | |
| SCHEMBL6463892 | 0.84 | HSD17B3 (0.63) | HSD17B3STSTHRATHRBHTR7 | |
| SCHEMBL12917844 | 0.84 | STS (0.67) | HSD17B3STSTHRATHRBCA2 | |
| SCHEMBL27549029 | 0.84 | HSD17B3 (0.63) | HSD17B3STSTHRATHRBHTR7 | |
| SCHEMBL9702822 | 0.83 | NR1I2 (0.43) | HSD17B3STSTHRATHRBNR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050282261-A1 | Novel choline oxidases | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2005-12-22 | — | — | US | disclosed |
| US-4883612-A | Preparation of para-acyloxybenzene sulfonates | RHONE-POULENC CHIMIE DE BASE (FR) | 1989-11-28 | — | — | US | disclosed |
| US-4588532-A | Preparation of para-acyloxybenzene sulfonates | RHONE-POULENC CHIMIE DE BASE (FR) | 1986-05-13 | — | — | US | disclosed |