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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.30 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.30 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.30 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GSR | P00390 | 1/20 | 0.40 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28406519 | 0.98 | LMNA (0.43) | LMNATSHRGMNNALDH1A1TP53 | |
| Lithium Ion SCHEMBL28489640 | 0.95 | GSR (0.40) | LMNATSHRGMNNALDH1A1TP53 | |
| SCHEMBL28490537 | 0.93 | GMNN (0.46) | LMNATSHRGMNNALDH1A1TP53 | |
| Tetramethylammonium Ion SCHEMBL28698403 | 0.90 | GSR (0.36) | LMNATSHRGMNNALDH1A1TP53 | |
| Lithium Ion SCHEMBL28480860 | 0.88 | GMNN (0.41) | LMNATSHRGMNNALDH1A1TP53 | |
| SCHEMBL28983643 | 0.83 | GMNN (0.39) | LMNATSHRGMNNALDH1A1TP53 | |
| SCHEMBL28854278 | 0.78 | TP53 (0.48) | TSHRTP53MAPK1CA1CA2 | |
| SCHEMBL7758300 | 0.78 | TP53 (0.48) | TSHRTP53MAPK1CA1CA2 | |
| SCHEMBL28363361 | 0.78 | TP53 (0.48) | TSHRTP53MAPK1CA1CA2 | |
| SCHEMBL28079461 | 0.77 | TP53 (0.42) | TSHRALDH1A1TP53MAPK1ENPEP |
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-112851898-B | Self-extinction waterborne polyurethane resin, preparation method and application | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-112851898-A | Self-extinction waterborne polyurethane resin, preparation method and application | 万华化学集团股份有限公司 | 2021-05-28 | — | — | CN | disclosed |