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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.50 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 SCHEMBL11802697 | 0.98 | ALDH1A1 (0.59) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL27144 | 0.85 | ALDH1A1 (0.68) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL15632683 | 0.84 | ALDH1A1 (0.45) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| Potassium Ion SCHEMBL10879286 | 0.83 | ALDH1A1 (0.61) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL27789404 | 0.83 | ALDH1A1 (0.61) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL15632870 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| Tetrabuthylammonium SCHEMBL9033781 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL931107 | 0.81 | ALDH1A1 (0.63) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL17545802 | 0.81 | ALDH1A1 (0.63) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL7636977 | 0.80 | ALDH1A1 (0.66) | ALDH1A1TDP1KMT2AMAPK1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108475822-B | Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same | 斯泰拉化工公司 | 2022-03-11 | — | — | CN | disclosed |
| US-4269773-A | CEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1981-05-26 | — | — | US | disclosed |
| US-4159984-A | METAL AND PROTON DONOR | SHIONOGI & CO., LTD. (JP) | 1979-07-03 | — | — | US | disclosed |