Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Juglone. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.81 |
| ▸ | RECQL | P46063 | 5/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.81 |
| ▸ | HPGD | P15428 | 4/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.81 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.81 |
| ▸ | CDC25B | P30305 | 3/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.81 |
| ▸ | TOP1 | P11387 | 3/20 | 0.81 |
| ▸ | AURKA | O14965 | 3/20 | 0.81 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.81 |
| ▸ | MEN1 | O00255 | 3/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.81 |
| ▸ | CASP1 | P29466 | 3/20 | 0.81 |
| ▸ | BLM | P54132 | 3/20 | 0.81 |
| ▸ | CASP7 | P55210 | 3/20 | 0.81 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Juglone SCHEMBL9280529 | 0.90 | MAPT (1.00) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL29500185 | 0.90 | MAPT (1.00) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL34185 | 0.90 | MAPT (1.00) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL17888856 | 0.88 | MAPT (0.96) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL9476381 | 0.87 | MAPT (0.85) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL14246054 | 0.86 | MAPT (0.92) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL25330089 | 0.85 | MAPT (0.81) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL28247351 | 0.85 | MAPT (0.81) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Anthraquinone SCHEMBL14245036 | 0.83 | MAPT (0.85) | MAPTKDM4ERECQLALDH1A1HPGD | |
| Juglone SCHEMBL2720570 | 0.83 | MAPT (0.85) | MAPTKDM4ERECQLALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-3947517-A | Stereoselective introduction of tetracyclines hydroxyl group at 12(a) position in synthesis of tetracyclines | RESEARCH CORPORATION (US) | 1976-03-30 | — | — | US | disclosed |