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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | TSHR | P16473 | 5/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28123759 | 0.89 | ALDH1A1 (0.82) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL8009092 | 0.86 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL13876479 | 0.86 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL9717121 | 0.86 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| Sulfuric Acid SCHEMBL29064871 | 0.86 | ALDH1A1 (0.82) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| Potassium Ion SCHEMBL39638 | 0.86 | ALDH1A1 (0.65) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| Potassium Ion SCHEMBL11762347 | 0.86 | ALDH1A1 (0.59) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL9081136 | 0.85 | ALDH1A1 (0.70) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL8350350 | 0.85 | ALDH1A1 (0.70) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL9081134 | 0.85 | ALDH1A1 (0.70) | ALDH1A1TSHRLMNACYP3A4MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4273904-A | SULFONATED PHTHALATE OR BENZOATE EMULSIFIER | THE B. F. GOODRICH COMPANY (US) | 1981-06-16 | — | — | US | claimed |