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 | 11/20 | 0.57 |
| ▸ | CA1 known ✓ | P00915 | 11/20 | 0.57 |
| ▸ | CA2 known ✓ | P00918 | 11/20 | 0.57 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.39 |
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 11/20 | 0.57 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28921731 | 0.82 | CA12 (0.59) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL609250 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP2C9HPGDHSD17B10CYP2D6 | |
| SCHEMBL29193655 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP2C9HPGDHSD17B10CYP2D6 | |
| SCHEMBL28612628 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP2C9HPGDHSD17B10CYP2D6 | |
| SCHEMBL28613001 | 0.74 | ALDH1A1 (0.59) | ALDH1A1CYP2C9HPGDHSD17B10CYP2D6 | |
| SCHEMBL9647648 | 0.74 | — | — | |
| SCHEMBL21172135 | 0.72 | LMNA (0.38) | ALDH1A1CYP2C9HPGDHSD17B10CYP2D6 | |
| SCHEMBL2579283 | 0.70 | — | — | |
| SCHEMBL25380908 | 0.70 | LMNA (0.50) | ALDH1A1CYP2C9HSD17B10CYP2D6LMNA | |
| SCHEMBL7058546 | 0.70 | LMNA (0.50) | ALDH1A1CYP2C9HSD17B10CYP2D6LMNA |
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-113304887-B | Amino xanthate sulfide ore collecting agent and preparation method and application thereof | 北京矿冶研究总院 | 2022-05-31 | — | — | CN | disclosed |
| CN-113304887-A | Amino xanthate sulfide ore collecting agent and preparation method and application thereof | 北京矿冶研究总院 | 2021-08-27 | — | — | CN | disclosed |