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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.48 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.43 |
| ▸ | FDPS known ✓ | P14324 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 5/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | GGPS1 | O95749 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9338382 | 1.00 | CA2 (0.48) | CA2CES2CES1CA1GGPS1 | |
| SCHEMBL1453247 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL7753373 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL28727701 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL1453920 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| Silver SCHEMBL25382804 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL7753376 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL1453250 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL22396481 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS | |
| SCHEMBL10889791 | 0.96 | CES2 (0.44) | CA2CES2CES1GGPS1FDPS |
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 |
|---|---|---|---|---|---|---|---|
| CN-116602881-A | Shampoo composition and preparation method thereof | 中孚胜弘(广州)生物科技有限公司 | 2023-08-18 | — | — | CN | disclosed |