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 | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.34 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.34 |
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 SCHEMBL1229446 | 0.95 | MAPT (0.36) | GABRA1GABRB2KMT2AMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1227791 | 0.93 | GABRA1 (0.38) | GABRA1GABRB2KMT2AMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1228010 | 0.90 | KMT2A (0.35) | GABRA1GABRB2KMT2AMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1229834 | 0.89 | MAPT (0.36) | KMT2AMAPTALDH1A1MEN1KDM4E | |
| Acetic Acid SCHEMBL1227796 | 0.88 | MAPT (0.37) | GABRA1KMT2AMAPTALDH1A1MEN1 | |
| Acetic Acid SCHEMBL1227939 | 0.88 | MAPT (0.38) | GABRA1GABRB2KMT2AMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1228009 | 0.86 | CA1 (0.36) | GABRA1GABRB2KMT2AMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1229887 | 0.86 | SYK (0.38) | KMT2AMAPTALDH1A1MEN1KDM4E | |
| Acetic Acid SCHEMBL1229898 | 0.86 | GABRA1 (0.39) | GABRA1GABRB2KMT2AMAPTALDH1A1 | |
| Acetic Acid SCHEMBL1228919 | 0.85 | ALDH1A1 (0.35) | GABRA1GABRB2KMT2AMAPTALDH1A1 |
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 |