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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.47 |
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.39 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL40704 | 0.93 | — | — | |
| SCHEMBL5494561 | 0.93 | TRPA1 (0.61) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| SCHEMBL10941713 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL2017512 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| SCHEMBL31498525 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| Water SCHEMBL11662813 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| Benzene SCHEMBL22829865 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| Bromide SCHEMBL21173634 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL22194330 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL9810941 | 0.89 | TRPA1 (0.58) | TRPA1ATMTSHRCYP2A6CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118059041-A | Preparation method of phloroglucinol injection | 南京艾德凯腾生物医药有限责任公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117839605-A | Equipment and process for producing phloroglucinol injection | 南京艾德凯腾生物医药有限责任公司 | 2024-04-09 | — | — | CN | disclosed |