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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | TP53 | P04637 | 2/20 | 0.63 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.55 |
| ▸ | FEN1 | P39748 | 1/20 | 0.55 |
| ▸ | FLT1 | P17948 | 1/20 | 0.50 |
| ▸ | FLT4 | P35916 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL6584264 | 0.96 | ALDH1A1 (0.63) | ALDH1A1TP53ERCC5FEN1CA1 | |
| SCHEMBL11265039 | 0.96 | ALDH1A1 (0.63) | ALDH1A1TP53ERCC5FEN1CA1 | |
| SCHEMBL4446245 | 0.84 | CA1 (0.52) | ALDH1A1TP53ERCC5FEN1CA1 | |
| SCHEMBL6231168 | 0.83 | TSHR (0.63) | ALDH1A1TP53ERCC5FEN1CA1 | |
| SCHEMBL29653755 | 0.83 | TSHR (0.63) | ALDH1A1TP53ERCC5FEN1CA1 | |
| SCHEMBL8822154 | 0.83 | CA1 (0.50) | ALDH1A1TP53ERCC5FEN1CA1 | |
| 5-Chlorosalicylic Acid SCHEMBL429285 | 0.81 | CA1 (0.64) | ALDH1A1TP53CA1CA2SMN1; SMN2 | |
| SCHEMBL28510712 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TP53ERCC5FEN1CA1 | |
| SCHEMBL8160214 | 0.79 | ALDH1A1 (0.71) | ALDH1A1TP53ERCC5FEN1CA1 | |
| SCHEMBL653747 | 0.79 | TSHR (0.59) | ALDH1A1TP53ERCC5FEN1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110627630-A | Treatment method of diacyl peroxide waste | 江苏强盛功能化学股份有限公司 | 2019-12-31 | — | — | CN | disclosed |