Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.74 |
| ▸ | HPGD | P15428 | 1/20 | 0.74 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 9/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5398653 | 0.89 | L3MBTL1 (0.92) | L3MBTL1HPGDGAAMEN1KMT2A | |
| SCHEMBL1204352 | 0.89 | L3MBTL1 (0.92) | L3MBTL1HPGDGAAMEN1KMT2A | |
| SCHEMBL30043171 | 0.89 | L3MBTL1 (0.92) | L3MBTL1HPGDGAAMEN1KMT2A | |
| SCHEMBL29757867 | 0.89 | L3MBTL1 (0.92) | L3MBTL1HPGDGAAMEN1KMT2A | |
| SCHEMBL395524 | 0.89 | L3MBTL1 (0.92) | L3MBTL1HPGDGAAMEN1KMT2A | |
| SCHEMBL30528190 | 0.86 | HPGD (1.00) | L3MBTL1HPGDGAAALDH1A1LMNA | |
| SCHEMBL2217555 | 0.86 | HPGD (1.00) | L3MBTL1HPGDGAAALDH1A1LMNA | |
| SCHEMBL2217559 | 0.86 | HPGD (1.00) | L3MBTL1HPGDGAAALDH1A1LMNA | |
| SCHEMBL17988339 | 0.84 | HPGD (0.96) | L3MBTL1HPGDGAAALDH1A1LMNA | |
| SCHEMBL2589102 | 0.79 | L3MBTL1 (0.68) | L3MBTL1HPGDGAAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111138345-B | Method for synthesizing polysubstituted pyridine derivative based on oxime ester and unsaturated ketone under catalysis of iron salt | 常州大学 | 2021-05-25 | — | — | CN | claimed |
| CN-111138345-A | Method for synthesizing polysubstituted pyridine derivative based on oxime ester and unsaturated ketone under catalysis of iron salt | 常州大学 | 2020-05-12 | — | — | CN | claimed |
| CN-111138345-B | Method for synthesizing polysubstituted pyridine derivative based on oxime ester and unsaturated ketone under catalysis of iron salt | 常州大学 | 2021-05-25 | — | — | CN | disclosed |
| CN-111138345-A | Method for synthesizing polysubstituted pyridine derivative based on oxime ester and unsaturated ketone under catalysis of iron salt | 常州大学 | 2020-05-12 | — | — | CN | disclosed |