Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrogen Sulfide. 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 | 2/20 | 0.50 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.50 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.47 |
| ▸ | S100A4 | P26447 | 2/20 | 0.74 |
| ▸ | PTPRC | P08575 | 1/20 | 0.74 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | APEX1 | P27695 | 1/20 | 0.58 |
| ▸ | CASP6 | P55212 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | STAT6 | P42226 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Anthraquinone SCHEMBL27736010 | 0.96 | S100A4 (0.79) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL156735 | 0.96 | S100A4 (0.79) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL27694074 | 0.95 | S100A4 (0.77) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Ammonia Solution, Strong SCHEMBL27539963 | 0.95 | S100A4 (0.77) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Water SCHEMBL11135902 | 0.95 | S100A4 (0.77) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL27694196 | 0.93 | S100A4 (0.74) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Anthraquinone SCHEMBL27518707 | 0.93 | S100A4 (0.79) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL11317413 | 0.91 | S100A4 (0.78) | S100A4PTPRCMAPTPOLBAPEX1 | |
| SCHEMBL2347136 | 0.91 | S100A4 (0.84) | S100A4PTPRCMAPTPOLBAPEX1 | |
| Bicarbonate SCHEMBL9620804 | 0.90 | S100A4 (0.70) | S100A4PTPRCMAPTPOLBAPEX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103497116-B | The synthetic method of 1-aminoanthraquinone | JIANGSU YABANG DYESTUFFS CO., LTD. (CN) | 2016-04-20 | — | — | CN | disclosed |