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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.46 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 4/20 | 0.52 |
| ▸ | TLR2 | O60603 | 1/20 | 0.52 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.52 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL170690 | 0.95 | ERN1 (0.55) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| Bromomethane SCHEMBL28079811 | 0.91 | ERN1 (0.52) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL1028678 | 0.83 | ERN1 (0.63) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL953118 | 0.83 | ERN1 (0.48) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL4541926 | 0.82 | CYP1A2 (0.54) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL9956453 | 0.82 | ERN1 (0.44) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL747870 | 0.82 | TLR2 (0.44) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL459037 | 0.81 | ALDH1A1 (0.61) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL15945775 | 0.81 | ERN1 (0.47) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL743608 | 0.81 | ALDH1A1 (0.57) | ERN1TLR2TLR1TLR6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102405239-B | polymer nanoparticles | EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) | 2014-10-15 | — | — | CN | disclosed |
| CN-102405239-A | Polymer nanoparticles | ETH ZUERICH | 2012-04-04 | — | — | CN | disclosed |
| CN-101065388-B | Process for preparing acylphosphanes and derivatives thereof | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2011-12-21 | — | — | CN | disclosed |
| CN-101065388-A | Process for preparing acylphosphanes and derivatives thereof | CIBA SC HOLDING AG (CH) | 2007-10-31 | — | — | CN | disclosed |