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 | |
|---|---|---|---|---|
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.51 |
| ▸ | ALOX5 known ✓ | P09917 | 2/20 | 0.50 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | FOS | P01100 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | JUN | P05412 | 1/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8733969 | 0.91 | TSHR (0.51) | TSHRALDH1A1PTPN1GAANFKB1 | |
| Potassium Ion SCHEMBL28478855 | 0.88 | TSHR (0.51) | TSHRALDH1A1PTPN1GAANFKB1 | |
| SCHEMBL8729251 | 0.87 | TSHR (0.48) | TSHRALDH1A1PTPN1GAANFKB1 | |
| SCHEMBL8734316 | 0.86 | TSHR (0.55) | TSHRALDH1A1PTPN1GAANFKB1 | |
| SCHEMBL8733965 | 0.84 | TSHR (0.54) | TSHRALDH1A1PTPN1GAANFKB1 | |
| SCHEMBL28943838 | 0.81 | TSHR (0.50) | TSHRALDH1A1PTPN1GAANFKB1 | |
| Vanillyl Alcohol SCHEMBL28478856 | 0.79 | TSHR (0.55) | TSHRALDH1A1PTPN1GAANFKB1 | |
| SCHEMBL29175207 | 0.78 | TSHR (0.62) | TSHRALDH1A1PTPN1GAANFKB1 | |
| SCHEMBL1272446 | 0.78 | PTPN1 (0.66) | TSHRALDH1A1PTPN1GAANFKB1 | |
| SCHEMBL116859 | 0.78 | PTPN1 (0.66) | TSHRALDH1A1PTPN1GAANFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0375723-B1 | SUBSTRATES FOR THE ASSAY OF ENZYMES | KING S COLLEGE LONDON (GB) | 1994-03-23 | — | — | EP | disclosed |
| US-5221606-A | REAGENT AND KIT FOR ENZYME ASSAY COMPRISING A SUBSTRATE CONSONANT WITH GIVEN ENZYME TO BE ASSAYED | KING'S COLLEGE LONDON (GB) | 1993-06-22 | — | — | US | disclosed |
| EP-0375723-A1 | SUBSTRATES FOR THE ASSAY OF ENZYMES. | KING S COLLEGE LONDON (GB) | 1990-07-04 | — | — | EP | disclosed |
| WO-1989002473-A1 | SUBSTRATES FOR THE ASSAY OF ENZYMES | KING'S COLLEGE LONDON (GB) | 1989-03-23 | — | — | WO | disclosed |