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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.76 |
| ▸ | CA2 | P00918 | 3/20 | 0.76 |
| ▸ | CA9 | Q16790 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MPI | P34949 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL19459122 | 0.97 | CA12 (0.76) | CA12CA2CA9KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL7739937 | 0.97 | CA12 (0.76) | CA12CA2CA9KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL29356990 | 0.97 | CA12 (0.76) | CA12CA2CA9KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL1228148 | 0.89 | CA12 (0.60) | CA12CA2CA9KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL1227199 | 0.88 | SIRT2 (0.73) | CA12CA2CA9KDM4ESIRT2 | |
| SCHEMBL30361105 | 0.87 | CA12 (1.00) | CA12CA2CA9KDM4EALDH1A1 | |
| SCHEMBL803089 | 0.87 | CA12 (1.00) | CA12CA2CA9KDM4EALDH1A1 | |
| SCHEMBL710477 | 0.87 | CA12 (1.00) | CA12CA2CA9KDM4EALDH1A1 | |
| SCHEMBL29359256 | 0.87 | CA12 (1.00) | CA12CA2CA9KDM4EALDH1A1 | |
| SCHEMBL710476 | 0.87 | CA12 (1.00) | CA12CA2CA9KDM4EALDH1A1 |
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 |