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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA9 | Q16790 | 5/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 2/20 | 0.31 |
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 SCHEMBL1228780 | 0.95 | ALDH1A1 (0.36) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1227788 | 0.90 | ALDH1A1 (0.36) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1230139 | 0.89 | MEN1 (0.34) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1228831 | 0.88 | SMN1; SMN2 (0.47) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1228288 | 0.88 | SIRT2 (0.34) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1229558 | 0.86 | ALOX5 (0.41) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1227678 | 0.85 | KDM4E (0.33) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1228535 | 0.84 | CA12 (0.37) | ALDH1A1LMNAMEN1KMT2AKDM4E | |
| Acetic Acid SCHEMBL1227842 | 0.83 | MEN1 (0.35) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| Acetic Acid SCHEMBL1227687 | 0.83 | SMN1; SMN2 (0.49) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 |
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-20110040070-A1 | ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |