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 | 1/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28362407 | 0.97 | SMN1; SMN2 (0.56) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL11483981 | 0.95 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| Zinc Ion SCHEMBL28430295 | 0.92 | SMN1; SMN2 (0.56) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL17670565 | 0.87 | SMN1; SMN2 (0.48) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL3075946 | 0.76 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL11842060 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL491492 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL11597254 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL5695564 | 0.74 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA | |
| SCHEMBL24531349 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TP53SMN1; SMN2LMNA |
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-1087629-C | Brain perfusion developer99mTcN(CHDT)2And method for preparing the same | INST OF APPLIED CHEMISTRY BEIJ (CN) | 2002-07-17 | — | — | CN | disclosed |
| CN-1280013-A | Brain perfusion developer 99m TCN (CHDT)2 and its preparing method | INST OF APPLIED CHEMISTRY BEIJ (CN) | 2001-01-17 | — | — | CN | disclosed |
| EP-0266552-A1 | Process for production of isothiocyanates | STAUFFER CHEMICAL COMPANY (US) | 1988-05-11 | — | — | EP | disclosed |
| US-4713467-A | OXIDATION OF DITHIOCARBAMATES; METAL CATALYST; H CONTROL | STAUFFER CHEMICAL COMPANY (US) | 1987-12-15 | — | — | US | disclosed |