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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 13/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 11/20 | 0.60 |
| ▸ | MEN1 | O00255 | 9/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | LMNA | P02545 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | GFER | P55789 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL248974 | 0.91 | HPGD (0.61) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL29378092 | 0.91 | HPGD (0.61) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL19846952 | 0.79 | HTT (0.56) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL18919152 | 0.79 | MEN1 (0.76) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL18919149 | 0.79 | MEN1 (0.76) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL2227263 | 0.78 | KDM4E (0.46) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL15161664 | 0.78 | HPGD (0.50) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL30760676 | 0.77 | HPGD (0.57) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL13723640 | 0.76 | ALDH1A1 (0.50) | MAPTKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL13723964 | 0.76 | MAPT (0.49) | MAPTKMT2AMEN1ALDH1A1LMNA |
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-113861202-B | Large-scale preparation process of pterosin | 暨南大学 | 2022-11-08 | — | — | CN | claimed |
| CN-113861202-A | Large-scale preparation process of pterosin | 暨南大学 | 2021-12-31 | — | — | CN | claimed |
| CN-113861202-B | Large-scale preparation process of pterosin | 暨南大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-113861202-A | Large-scale preparation process of pterosin | 暨南大学 | 2021-12-31 | — | — | CN | disclosed |