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 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 9/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3857079 | 0.95 | CA12 (0.47) | CA12CA7CA14CA9CXCR4 | |
| Potassium Ion SCHEMBL28435351 | 0.91 | CA12 (0.42) | CA12CA7CA14CA9CXCR4 | |
| SCHEMBL5458450 | 0.87 | CA12 (0.50) | CA12CA7CA14CA9CXCR4 | |
| SCHEMBL17923275 | 0.81 | CXCR4 (0.46) | CA12CA7CA14CXCR4ALDH1A1 | |
| SCHEMBL21518399 | 0.81 | CXCR4 (0.46) | CA12CA7CA14CXCR4ALDH1A1 | |
| SCHEMBL165817 | 0.81 | CXCR4 (0.46) | CA12CA7CA14CXCR4ALDH1A1 | |
| SCHEMBL18747632 | 0.80 | CXCR4 (0.45) | CXCR4CXCL12HRH4HRH3KMT2A | |
| Hydrochloric Acid SCHEMBL29233618 | 0.80 | CXCR4 (0.45) | CA12CA7CA14CXCR4ALDH1A1 | |
| SCHEMBL21518383 | 0.79 | CXCR4 (0.44) | CXCR4ALDH1A1CXCL12HRH4HRH3 | |
| SCHEMBL37872 | 0.78 | CXCR4 (0.46) | CA12CA7CA14CXCR4ALDH1A1 |
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-116273159-B | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-11-17 | — | — | CN | claimed |
| CN-116273159-A | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-06-23 | — | — | CN | claimed |
| CN-116273159-B | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-11-17 | — | — | CN | disclosed |
| CN-116273159-A | Sulfonated immobilized binary catalyst, preparation method and application thereof | 中国人民解放军军事科学院系统工程研究院 | 2023-06-23 | — | — | CN | disclosed |
| CN-111393612-B | Sulfonate type waterborne polyurethane curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-111393612-A | Sulfonate type waterborne polyurethane curing agent and preparation method and application thereof | 嘉宝莉化工集团股份有限公司 | 2020-07-10 | — | — | CN | disclosed |