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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28503721 | 0.88 | CA2 (0.67) | CA2SMN1; SMN2FFAR4LMNAALDH1A1 | |
| SCHEMBL11057835 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL2457843 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL3860078 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL149982 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL3853262 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL446403 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL11450888 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL11712823 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL11059907 | 0.84 | CA2 (0.66) | CA2SMN1; SMN2LMNAALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115485240-B | Sun-blocking compositions containing alkyl sulfonates and methods thereof | 花王株式会社 | 2024-12-27 | — | — | CN | disclosed |
| CN-115485240-A | Self-tanning compositions containing alkyl sulfonates and methods thereof | 花王株式会社 | 2022-12-16 | — | — | CN | disclosed |
| CN-115461331-A | Self-tanning composition containing aromatic sulfonate and method thereof | 花王株式会社 | 2022-12-09 | — | — | CN | disclosed |
| EP-0748791-B1 | Valine p-isopropylbenzene sulfonate and a process for purifying valine | AJINOMOTO KK (JP) | 1999-11-17 | — | — | EP | disclosed |
| US-5689001-A | Process for purifying valine | AJINOMOTO CO., INC. (JP) | 1997-11-18 | — | — | US | disclosed |
| EP-0748791-A2 | Valine p-isopropylbenzene sulfonate and a process for purifying valine | Ajinomoto Co., Inc. (JP) | 1996-12-18 | — | — | EP | disclosed |