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 | 6/20 | 0.50 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.50 |
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.48 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Methyl Orange SCHEMBL18892 | 0.88 | KMT2A (0.69) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| Methyl Orange SCHEMBL18893 | 0.88 | KMT2A (0.69) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| SCHEMBL29843062 | 0.85 | SLC2A1 (0.66) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| Potassium Ion SCHEMBL11594926 | 0.84 | TSHR (0.54) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| SCHEMBL6140061 | 0.81 | ALDH1A1 (0.53) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| SCHEMBL4575039 | 0.80 | ALDH1A1 (0.79) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| SCHEMBL28493030 | 0.80 | NSD2 (0.47) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| SCHEMBL8628796 | 0.80 | APP (0.44) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| SCHEMBL19953365 | 0.79 | LMNA (0.55) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL1893140 | 0.78 | ALDH1A1 (0.57) | ALDH1A1ALOX15HSD17B10KDM4EHPGD |
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-1168763-A | Special bactericide for tobacco | LI YIBO (CN) | 1997-12-31 | — | — | CN | disclosed |