Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 6/20 | 0.42 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.42 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.51 |
| ▸ | KDM4A | O75164 | 1/20 | 0.51 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.51 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 6/20 | 0.42 |
| ▸ | PPARA | Q07869 | 6/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8769976 | 0.96 | KDM4C (0.54) | KDM4CKDM4APHF8KDM2AFFAR4 | |
| SCHEMBL3340199 | 0.89 | KDM4C (0.46) | KDM4CKDM4APHF8KDM2AFFAR4 | |
| SCHEMBL27998402 | 0.86 | TSHR (0.50) | FFAR4FFAR1TSHRALDH1A1LMNA | |
| SCHEMBL8562599 | 0.86 | TSHR (0.50) | FFAR4FFAR1TSHRALDH1A1LMNA | |
| SCHEMBL17867194 | 0.86 | KDM4C (0.63) | KDM4CKDM4APHF8KDM2AFFAR4 | |
| SCHEMBL15489 | 0.86 | KDM4C (0.63) | KDM4CKDM4APHF8KDM2AFFAR4 | |
| SCHEMBL254102 | 0.86 | KDM4C (0.63) | KDM4CKDM4APHF8KDM2AFFAR4 | |
| Adipic Acid SCHEMBL18794878 | 0.86 | KDM4C (0.63) | KDM4CKDM4APHF8KDM2AFFAR4 | |
| SCHEMBL3117448 | 0.86 | KDM4C (0.63) | KDM4CKDM4APHF8KDM2AFFAR4 | |
| SCHEMBL10778994 | 0.86 | KDM4C (0.63) | KDM4CKDM4APHF8KDM2AFFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3999088-B1 | TOPICAL SKINCARE COMPOSITIONS COMPRISING CENTELLA ASIATICA | PROCTER & GAMBLE (US) | 2024-07-03 | — | — | EP | disclosed |