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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.88 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TET3 | O43151 | 1/20 | 0.50 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.50 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.50 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.50 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.50 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.50 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL66387 | 0.96 | AKR1C1 (0.96) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1042420 | 0.96 | AKR1C1 (0.96) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1041902 | 0.96 | AKR1C1 (0.96) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL19249602 | 0.96 | AKR1C1 (0.96) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL3811046 | 0.94 | AKR1C1 (0.92) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL65167 | 0.94 | AKR1C1 (1.00) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8315894 | 0.92 | AKR1C1 (0.96) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1667343 | 0.90 | AKR1C1 (0.91) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8105149 | 0.88 | AKR1C1 (0.88) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL11665752 | 0.88 | AKR1C1 (0.88) | AKR1C1HDAC4KMT2AMEN1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009139707-A1 | PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT | ASTRAZENECA AB (SE) | 2009-11-19 | — | — | WO | disclosed |