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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.45 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.45 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.45 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.45 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.40 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.40 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28372215 | 0.76 | LMNA (0.48) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| SCHEMBL10656588 | 0.74 | LMNA (0.52) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| SCHEMBL15536776 | 0.72 | LMNA (0.50) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| Acetic Acid SCHEMBL28377838 | 0.70 | LMNA (0.52) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| Acetic Acid SCHEMBL28483587 | 0.70 | LMNA (0.42) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| SCHEMBL15092710 | 0.70 | LMNA (0.60) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| SCHEMBL28483586 | 0.69 | LMNA (0.44) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| SCHEMBL10510362 | 0.69 | SMN1; SMN2 (0.50) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| SCHEMBL7764701 | 0.69 | LMNA (0.48) | KDM4ECYP1A2GRIA1GRIA2GRIA3 | |
| SCHEMBL29907308 | 0.69 | KDM4E (0.45) | KDM4ECYP1A2GRIA1GRIA2GRIA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111978336-A | Preparation method and application of 5-fluorouracil-1-yl-acetic acid o-phenanthroline copper tetrafluoroborate anticancer functional complex | 温州大学新材料与产业技术研究院 | 2020-11-24 | — | — | CN | disclosed |
| CN-111875623-A | Preparation method and application of 5-fluorouracil-1-yl acetic acid bipyridyl copper tetrafluoroborate anticancer functional complex | 温州大学新材料与产业技术研究院 | 2020-11-03 | — | — | CN | disclosed |