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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 10/20 | 0.64 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.64 |
| ▸ | CA1 known ✓ | P00915 | 9/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18725592 | 0.91 | CA2 (0.58) | TRPA1CA2CA4MAPTRAB9A | |
| SCHEMBL18725593 | 0.91 | CA2 (0.58) | TRPA1CA2CA4MAPTRAB9A | |
| SCHEMBL28820952 | 0.87 | MAPT (0.56) | TRPA1CA2CA4MAPTRAB9A | |
| Potassium Ion SCHEMBL766298 | 0.87 | MAPT (0.61) | TRPA1CA2CA4MAPTRAB9A | |
| Potassium Ion SCHEMBL766299 | 0.87 | MAPT (0.61) | TRPA1CA2CA4MAPTRAB9A | |
| Benzoic Acid SCHEMBL27490139 | 0.82 | CA2 (0.94) | CA2CA4MAPTL3MBTL1POLB | |
| SCHEMBL168297 | 0.80 | TRPA1 (1.00) | TRPA1CA2MAPTRAB9ACASP3 | |
| SCHEMBL3361521 | 0.80 | TRPA1 (1.00) | TRPA1CA2MAPTRAB9ACASP3 | |
| SCHEMBL20307199 | 0.80 | TRPA1 (1.00) | TRPA1CA2MAPTRAB9ACASP3 | |
| SCHEMBL384410 | 0.80 | TRPA1 (1.00) | TRPA1CA2MAPTRAB9ACASP3 |
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-111696792-A | Organic nanometer negative electrode based on insertion layer type pseudo-capacitor and preparation method and application thereof | 苏州大学 | 2020-09-22 | — | — | CN | claimed |
| CN-111696792-B | Organic nanometer negative electrode based on insertion layer type pseudo-capacitor and preparation method and application thereof | 苏州大学 | 2021-07-20 | — | — | CN | disclosed |
| CN-108273478-B | Formaldehyde removal composition and product | 李怀玉 | 2021-03-02 | — | — | CN | disclosed |
| CN-111696792-A | Organic nanometer negative electrode based on insertion layer type pseudo-capacitor and preparation method and application thereof | 苏州大学 | 2020-09-22 | — | — | CN | disclosed |