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 | 6/20 | 0.44 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29067054 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| SCHEMBL30570943 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| Potassium Ion SCHEMBL28555075 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| SCHEMBL30570944 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| SCHEMBL30570941 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| SCHEMBL28397215 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| SCHEMBL30570939 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| SCHEMBL29067034 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| Zinc Ion SCHEMBL31514058 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 | |
| SCHEMBL28396939 | 0.95 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA2CA4 |
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-112094415-B | NiMn MOF and preparation method and application thereof | 西安交通大学 | 2021-08-13 | — | — | CN | claimed |
| CN-112094415-A | NiMn MOF and preparation method and application thereof | 西安交通大学 | 2020-12-18 | — | — | CN | claimed |
| CN-112094415-B | NiMn MOF and preparation method and application thereof | 西安交通大学 | 2021-08-13 | — | — | CN | disclosed |
| CN-112094415-A | NiMn MOF and preparation method and application thereof | 西安交通大学 | 2020-12-18 | — | — | CN | disclosed |