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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 10/20 | 0.37 |
| ▸ | CA1 | P00915 | 9/20 | 0.37 |
| ▸ | CA12 | O43570 | 7/20 | 0.37 |
| ▸ | CA9 | Q16790 | 7/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 SCHEMBL1228149 | 0.93 | HSP90AA1 (0.39) | HSP90AA1CA2CA1CA12CA9 | |
| Acetic Acid SCHEMBL1228657 | 0.90 | ALDH1A1 (0.37) | HSP90AA1CA2CA12CA9ALDH1A1 | |
| Acetic Acid SCHEMBL1229573 | 0.86 | MAOA (0.35) | HSP90AA1CA2CA12CA9ALDH1A1 | |
| Acetic Acid SCHEMBL1228936 | 0.86 | CA12 (0.32) | CA2CA1CA12CA9KDM4E | |
| Acetic Acid SCHEMBL1230350 | 0.86 | — | — | |
| Acetic Acid SCHEMBL1229820 | 0.85 | ALDH1A1 (0.34) | HSP90AA1CA2CA12CA9ALDH1A1 | |
| Acetic Acid SCHEMBL1227467 | 0.84 | CA1 (0.41) | CA2CA1CA12CA9ACHE | |
| Acetic Acid SCHEMBL1228709 | 0.84 | CA2 (0.36) | CA2CA1CA12CA9ACHE | |
| Acetic Acid SCHEMBL1229410 | 0.84 | CA12 (0.33) | CA2CA1CA12CA9 | |
| Acetic Acid SCHEMBL1229123 | 0.83 | CA2 (0.39) | CA2CA1ALDH1A1MEN1MAPT |
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 |