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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | S100A4 | P26447 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| SCHEMBL18941004 | 0.87 | TDP1 (0.52) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| SCHEMBL10619013 | 0.84 | TSHR (0.58) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| SCHEMBL5638935 | 0.84 | TSHR (0.58) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| SCHEMBL30908227 | 0.82 | TSHR (0.56) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| SCHEMBL8764130 | 0.82 | TSHR (0.56) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| SCHEMBL731101 | 0.82 | TSHR (0.56) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| SCHEMBL28104917 | 0.82 | TSHR (0.56) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL11759847 | 0.81 | TSHR (0.55) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 | |
| SCHEMBL359728 | 0.80 | TDP1 (0.46) | TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1 | |
| SCHEMBL30131227 | 0.79 | TSHR (0.53) | TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110964652-B | Dinitro sodium toluene sulfonate degrading bacteria and screening method and application thereof | 中国科学院青岛生物能源与过程研究所 | 2022-04-22 | — | — | CN | disclosed |
| EP-0534360-A1 | Method of preparing nitrotoluenesulfonic acids and sodium salts thereof | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1993-03-31 | — | — | EP | disclosed |
| US-3962251-A | NITRIC ACID | ALLIED CHEMICAL CORPORATION (US) | 1976-06-08 | — | — | US | disclosed |