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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28343095 | 0.87 | CA2 (0.40) | SMN1; SMN2CA2CA4CYP4F2CYP4A11 | |
| SCHEMBL28472343 | 0.79 | STS (0.46) | SMN1; SMN2NPC1CYP1A2CYP2C9HPGD | |
| SCHEMBL9440690 | 0.78 | LTB4R (0.39) | SMN1; SMN2NPC1CYP1A2CYP2C9HPGD | |
| SCHEMBL448024 | 0.76 | CA2 (0.44) | CA2CA4 | |
| SCHEMBL28554664 | 0.75 | CYP4F2 (0.42) | HPGDCYP2C19CA2CYP4F2CYP4A11 | |
| SCHEMBL27777282 | 0.74 | L3MBTL1 (0.55) | SMN1; SMN2NPC1CYP1A2CYP2C9HPGD | |
| SCHEMBL27221107 | 0.73 | ALDH1A1 (0.43) | SMN1; SMN2NPC1CA2ALDH1A1MAPK1 | |
| SCHEMBL1683498 | 0.73 | CA2 (0.39) | CA2CA4CYP4F2CYP4A11 | |
| Lithium Ion SCHEMBL756014 | 0.73 | CA2 (0.39) | CA2CA4CYP4F2CYP4A11 | |
| SCHEMBL29902446 | 0.73 | CYP4F2 (0.55) | SMN1; SMN2NPC1CYP1A2CYP2C9HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113122952-B | PBAT fiber and preparation method thereof | 新疆蓝山屯河科技股份有限公司 | 2022-07-15 | — | — | CN | claimed |
| CN-113122952-A | PBAT fiber and preparation method thereof | 新疆蓝山屯河化工股份有限公司 | 2021-07-16 | — | — | CN | claimed |
| CN-113122952-B | PBAT fiber and preparation method thereof | 新疆蓝山屯河科技股份有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-113201805-A | Preparation method of PBAT fiber | 新疆蓝山屯河化工股份有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-113122952-A | PBAT fiber and preparation method thereof | 新疆蓝山屯河化工股份有限公司 | 2021-07-16 | — | — | CN | disclosed |