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 | |
|---|---|---|---|---|
| ▸ | ADORA2B known ✓ | P29275 | 6/20 | 0.42 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 0.42 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.42 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.40 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.40 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL10963373 | 0.99 | KDM4E (0.43) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Potassium Ion SCHEMBL10961551 | 0.97 | KDM4E (0.43) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Lithium Ion SCHEMBL11164279 | 0.97 | KDM4E (0.43) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL11155199 | 0.80 | KDM4E (0.45) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL11170798 | 0.78 | KDM4E (0.46) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Water SCHEMBL10963375 | 0.77 | KDM4E (0.45) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL11163716 | 0.75 | MAPT (0.50) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Lithium Ion SCHEMBL11164273 | 0.75 | KDM4E (0.46) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Potassium Ion SCHEMBL10961555 | 0.75 | KDM4E (0.46) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL10964934 | 0.75 | ALDH1A1 (0.49) | KDM4EHSD17B10ALDH1A1HPGDGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4400508-A | AGRICULTURE; PLANT DISEASES; ANTISEPTICS | UBE INDUSTRIES, LTD. (JP) | 1983-08-23 | — | — | US | claimed |
| EP-0052341-A1 | Orotic acid derivatives and their use as agricultural chemicals | UBE INDUSTRIES, LTD. (JP) | 1982-05-26 | — | — | EP | claimed |