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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.47 |
| ▸ | DUSP5 | Q16690 | 4/20 | 0.48 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17243961 | 0.80 | ALDH1A1 (0.61) | THRBTDP1LMNAPRMT1ALDH1A1 | |
| SCHEMBL30736523 | 0.79 | DUSP5 (0.43) | DUSP5DUSP6THRBTDP1LMNA | |
| SCHEMBL26638163 | 0.79 | DUSP5 (0.43) | DUSP5DUSP6THRBTDP1LMNA | |
| SCHEMBL28031248 | 0.78 | ALDH1A1 (0.59) | THRBTDP1LMNAPRMT1ALDH1A1 | |
| SCHEMBL146865 | 0.77 | ALDH1A1 (0.75) | TDP1ALDH1A1HPGDPOLBCASP6 | |
| SCHEMBL29374840 | 0.77 | ALDH1A1 (0.75) | TDP1ALDH1A1HPGDPOLBCASP6 | |
| SCHEMBL29913044 | 0.77 | ALDH1A1 (0.75) | TDP1ALDH1A1HPGDPOLBCASP6 | |
| SCHEMBL7920628 | 0.77 | ALDH1A1 (0.75) | TDP1ALDH1A1HPGDPOLBCASP6 | |
| SCHEMBL11413941 | 0.76 | THRB (0.46) | DUSP5DUSP6THRBTDP1LMNA | |
| SCHEMBL11681994 | 0.76 | TDP1 (0.48) | DUSP5DUSP6THRBTDP1LMNA |
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-104841264-B | A kind of novel substance of purifying industrial waste gases | 宁波市雨辰环保科技有限公司 | 2017-06-23 | — | — | CN | disclosed |
| CN-104841264-A | Novel substance for purifying industrial waste gas | NINGBO YUCHEN ENVIROCLEAN TECH CO LTD | 2015-08-19 | — | — | CN | disclosed |