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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | ACP3 | P15309 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1719756 | 1.00 | CA2 (0.41) | CA2CA1CA9HTR6ACP3 | |
| SCHEMBL11599465 | 0.96 | CA2 (0.41) | CA2CA1CA9HTR6ACP3 | |
| SCHEMBL29763080 | 0.78 | KEAP1 (0.43) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL35772 | 0.78 | KEAP1 (0.43) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL11651931 | 0.77 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL1719758 | 0.77 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL11606350 | 0.77 | KEAP1 (0.42) | CA2CA1CA9ACP3KEAP1 | |
| Benzene SCHEMBL27652672 | 0.76 | ACP3 (0.44) | CA2CA1CA9ACP3KEAP1 | |
| SCHEMBL758525 | 0.71 | CA2 (0.42) | CA2CA1CA9HTR6ACP3 | |
| SCHEMBL17502201 | 0.70 | ALDH1A1 (0.46) | CA2CA1CA9ACP3KEAP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115140997-B | Coal-based solid waste type anti-cracking agent for cement stabilized pavement base material | 交通运输部公路科学研究所 | 2023-01-17 | — | — | CN | claimed |
| CN-115851352-A | Lubricant for preparing copper and copper alloy and using method thereof | 宁波金田铜业(集团)股份有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-115140997-B | Coal-based solid waste type anti-cracking agent for cement stabilized pavement base material | 交通运输部公路科学研究所 | 2023-01-17 | — | — | CN | disclosed |
| CN-115536311-A | Self-cleaning frequency-adaptive sound-absorbing rock and preparation method thereof | 江苏万普交通科技有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-115140997-A | Coal-based solid waste type anti-cracking agent for cement stabilized pavement base material | 交通运输部公路科学研究所 | 2022-10-04 | — | — | CN | disclosed |
| CN-110013888-B | Method for regenerating bifunctional catalyst | 南京信息工程大学 | 2022-02-01 | — | — | CN | disclosed |