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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.48 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | CDC25A | P30304 | 2/20 | 0.48 |
| ▸ | AKT1 | P31749 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.41 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | PTAFR | P25105 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28240312 | 0.99 | TSHR (0.69) | TSHRCDC25AAKT1LMNAESR1 | |
| SCHEMBL28248197 | 0.95 | TSHR (0.58) | TSHRCDC25AAKT1LMNAESR1 | |
| SCHEMBL28240378 | 0.93 | TSHR (0.54) | TSHRCDC25AAKT1LMNAESR1 | |
| SCHEMBL18141217 | 0.92 | TSHR (0.51) | TSHRCDC25AAKT1LMNAESR1 | |
| SCHEMBL18139327 | 0.92 | TSHR (0.56) | TSHRCDC25AAKT1LMNAESR1 | |
| SCHEMBL18139323 | 0.91 | TSHR (0.59) | TSHRCDC25AAKT1LMNAESR1 | |
| SCHEMBL5421180 | 0.91 | TSHR (0.57) | TSHRCDC25AAKT1LMNAESR1 | |
| Potassium Ion SCHEMBL18139274 | 0.89 | TSHR (0.51) | TSHRCDC25AAKT1LMNAESR1 | |
| SCHEMBL18140732 | 0.89 | TSHR (0.56) | TSHRCDC25AAKT1LMNAESR1 | |
| Lithium Ion SCHEMBL18140191 | 0.89 | TSHR (0.56) | TSHRCDC25AAKT1LMNAESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369060-A | A kind of combed block copolymer ceramic water reducing agent of ATRP technology | 合众（佛山）化工有限公司 | 2019-02-22 | — | — | CN | claimed |
| CN-108659166-A | A kind of combed block copolymer ceramic water reducing agent of ATRP technologies | 湖南辰砾新材料有限公司 | 2018-10-16 | — | — | CN | claimed |
| CN-109369060-A | A kind of combed block copolymer ceramic water reducing agent of ATRP technology | 合众（佛山）化工有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-108659166-A | A kind of combed block copolymer ceramic water reducing agent of ATRP technologies | 湖南辰砾新材料有限公司 | 2018-10-16 | — | — | CN | disclosed |