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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.58 |
| ▸ | ACHE | P22303 | 5/20 | 0.58 |
| ▸ | LCK | P06239 | 2/20 | 0.57 |
| ▸ | FYN | P06241 | 1/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.57 |
| ▸ | GRB2 | P62993 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 2/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.51 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL724773 | 0.89 | LCK (0.63) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL723311 | 0.89 | LCK (0.63) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL532562 | 0.89 | BCHE (0.60) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL10035655 | 0.86 | LCK (0.60) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL2760317 | 0.85 | LCK (0.61) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL8097195 | 0.83 | LCK (0.65) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL10035521 | 0.82 | LCK (0.64) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL726886 | 0.82 | ALDH1A1 (0.56) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL24062584 | 0.81 | ALDH1A1 (0.60) | BCHEACHELCKFYNAKR1B1 | |
| SCHEMBL716590 | 0.81 | ALDH1A1 (0.57) | BCHEACHELCKFYNAKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012027612-A1 | MASS SPECTROMETRIC COMPOSITIONS AND METHODS FOR LYSOSOMAL STORAGE DISEASE SCREENING | GELB MICHAEL (US) | 2012-03-01 | — | — | WO | disclosed |