Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Levulinic Acid. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.93 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | EGLN1 | Q9GZT9 | 6/20 | 0.60 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.60 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.60 |
| ▸ | PHF8 | Q9UPP1 | 7/20 | 0.57 |
| ▸ | KDM2A | Q9Y2K7 | 7/20 | 0.57 |
| ▸ | KDM5C | P41229 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | KDM6B | O15054 | 3/20 | 0.57 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SLC13A3 | Q8WWT9 | 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 | |
|---|---|---|---|---|
| Levulinic Acid SCHEMBL9525417 | 1.00 | LMNA (0.93) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL8061193 | 1.00 | LMNA (0.93) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL10401551 | 1.00 | LMNA (0.93) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL9773932 | 1.00 | LMNA (0.93) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL8063365 | 1.00 | LMNA (0.93) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL7695588 | 1.00 | LMNA (0.93) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL30530258 | 0.97 | — | — | |
| Levulinic Acid SCHEMBL113572 | 0.97 | LMNA (1.00) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL27931545 | 0.97 | LMNA (1.00) | LMNASLC15A2ALDH1A1EGLN1ALKBH5 | |
| Levulinic Acid SCHEMBL20868 | 0.97 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6034248-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-07 | — | — | US | disclosed |
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |