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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.45 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL4464428 | 0.96 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4ECA2CA1 | |
| SCHEMBL4102818 | 0.88 | GPR35 (0.56) | ALDH1A1HPGDKDM4ECA2CA1 | |
| SCHEMBL11055011 | 0.87 | ALDH1A1 (0.62) | ALDH1A1HPGDTDP1TSHRMAPT | |
| SCHEMBL28666700 | 0.87 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4ECA2CA1 | |
| SCHEMBL4103991 | 0.84 | GPR35 (0.56) | ALDH1A1TDP1GPR35TSHRCTSD | |
| SCHEMBL30001720 | 0.84 | GPR35 (0.56) | ALDH1A1TDP1GPR35TSHRCTSD | |
| SCHEMBL4099227 | 0.84 | GPR35 (0.56) | ALDH1A1TDP1GPR35TSHRCTSD | |
| SCHEMBL30001741 | 0.84 | GPR35 (0.56) | ALDH1A1TDP1GPR35TSHRCTSD | |
| Lithium Ion SCHEMBL7791980 | 0.84 | GPR35 (0.56) | ALDH1A1TDP1GPR35TSHRCTSD | |
| Potassium Ion SCHEMBL4088712 | 0.84 | GPR35 (0.56) | ALDH1A1TDP1GPR35TSHRCTSD |
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 |
|---|---|---|---|---|---|---|---|
| US-20020115738-A1 | Polymer networks show high selectivity or molecular recognition; for use in separators and sensors; example of crosslinker is 2,3-Dihydroxy-N,N,N'N'-tetramethyl-N,N'-bis(3-(methacryloylamino)propyl)-1,4-butanediammonium | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2002-08-22 | — | — | US | disclosed |