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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
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 SCHEMBL4868108 | 1.00 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL29037898 | 1.00 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL575053 | 1.00 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL10557658 | 0.97 | ALDH1A1 (0.47) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL44945 | 0.97 | — | — | |
| Tetrahydrofuran SCHEMBL1704980 | 0.97 | ALDH1A1 (0.53) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL28650393 | 0.97 | ALDH1A1 (0.53) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7175965 | 0.94 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7457134 | 0.94 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7613346 | 0.94 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118063285-A | Method for producing alcohol by coupling utilization of coal and biomass | 中国科学院大连化学物理研究所 | 2024-05-24 | — | — | CN | claimed |
| CN-118026811-A | Method for co-producing 1, 5-pentanediol and ethanol by taking dihydropyran and acetic acid as raw materials | 中国科学院大连化学物理研究所 | 2024-05-14 | — | — | CN | claimed |
| CN-118063285-A | Method for producing alcohol by coupling utilization of coal and biomass | 中国科学院大连化学物理研究所 | 2024-05-24 | — | — | CN | disclosed |
| CN-118063285-A | Method for producing alcohol by coupling utilization of coal and biomass | 中国科学院大连化学物理研究所 | 2024-05-24 | — | — | CN | disclosed |
| CN-118026811-A | Method for co-producing 1, 5-pentanediol and ethanol by taking dihydropyran and acetic acid as raw materials | 中国科学院大连化学物理研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-118026811-A | Method for co-producing 1, 5-pentanediol and ethanol by taking dihydropyran and acetic acid as raw materials | 中国科学院大连化学物理研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-114732916-A | Targeted delivery of tertiary amine-containing drug substances | 西雅图基因公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-107108694-B | Targeted delivery of tertiary amine-containing drug substances | 西雅图基因公司 | 2022-05-03 | — | — | CN | disclosed |
| CN-102753553-B | 6-amino-2- { [ (1S) -1-methylbutyl ] oxy } -9- [5- (1-piperidinyl) -7, 9-dihydro-8H-purin-8-one maleate | GLAXOSMITHKLINE LLC (US) | 2016-03-30 | — | — | CN | disclosed |
| EP-2534149-B1 | 6-AMINO-2-{[(1S)-1-METHYLBUTYL]OXY}-9-[5-(1-PIPERIDINYL)PENTYL]-7,9-DIHYDRO-8H-PURIN-8-ONE MALEATE | GLAXOSMITHKLINE LLC (US) | 2014-10-15 | — | — | EP | disclosed |
| US-8703754-B2 | 6-amino-2-{[(1S)-1-methylbutyl]oxy}-9-[5-(1-piperidinyl)-7,9-dihydro-8H-purin-8-one maleate | GLAXOSMITHKLINE LLC (US) | 2014-04-22 | — | — | US | disclosed |
| EP-2534149-A1 | 6-AMINO-2-{ [ (1S)-1-METHYLBUTYL]OXY}-9-[5-(1-PIPERIDINYL)-7,9-DIHYDRO-8H-PURIN-8-ONE MALEATE | GlaxoSmithKline LLC (US) | 2012-12-19 | — | — | EP | disclosed |
| US-20120308609-A1 | 6-AMINO-2--9-[5-(1-PIPERIDINYL)-7,9-DIHYDRO-8H-PURIN-8-ONE MALEATE | GLAXOSMITHKLINE LLC (US) | 2012-12-06 | — | — | US | disclosed |
| CN-102753553-A | 6-amino-2- { [ (1S) -1-methylbutyl ] oxy } -9- [5- (1-piperidinyl) -7, 9-dihydro-8H-purin-8-one maleate | GLAXOSMITHKLINE LLC | 2012-10-24 | — | — | CN | disclosed |
| WO-2011098452-A1 | 6-AMINO-2-{ [ (1S)-1-METHYLBUTYL] OXY}-9-[5-(1-PIPERIDINYL)-7,9-DIHYDRO-8H-PURIN-8-ONE MALEATE | GLAXOSMITHKLINE LLC (US) | 2011-08-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120308609-A1 | 6-AMINO-2--9-[5-(1-PIPERIDINYL)-7,9-DIHYDRO-8H-PURIN-8-ONE MALEATE | TLR8, TLR7, TLR9 | ALDH1A1 2290/4885FFAR3 1069/4885LCK 846/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.