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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.50 |
| ▸ | P2RY2 known ✓ | P41231 | 1/20 | 0.46 |
| ▸ | P2RY1 known ✓ | P47900 | 1/20 | 0.46 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.46 |
| ▸ | P2RY6 known ✓ | Q15077 | 1/20 | 0.46 |
| ▸ | P2RY12 known ✓ | Q9H244 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | PKLR | P30613 | 5/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | PGAM1 | P18669 | 2/20 | 0.58 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.51 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1412691 | 1.00 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| SCHEMBL31317955 | 1.00 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| Water SCHEMBL28390010 | 0.98 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| Potassium Ion SCHEMBL2787084 | 0.96 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| SCHEMBL5068680 | 0.96 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| Silver SCHEMBL2958255 | 0.96 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| SCHEMBL30469515 | 0.96 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| SCHEMBL3511014 | 0.96 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| SCHEMBL2786330 | 0.94 | STAT3 (0.52) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 | |
| SCHEMBL4794999 | 0.92 | PKLR (0.49) | ALDH1A1SMN1; SMN2PKLRPTPN1PGAM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110697887-B | Method for domesticating humic acid reducing bacteria based on humic acid reduction-denitrification coupling | 天津大学 | 2022-05-13 | — | — | CN | claimed |
| CN-119253090-A | Zn-I2Battery electrolyte and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2025-01-03 | — | — | CN | disclosed |
| CN-117603001-A | Method for selectively recovering toluene and amyl anthraquinone from alkaline cleaning wastewater | 宜昌苏鹏科技有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-116830036-A | Two-component system | 西托斯股份公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-116830040-A | Photopolymerizable compositions | 西托斯股份公司 | 2023-09-29 | — | — | CN | disclosed |