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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.69 |
| ▸ | BCHE | P06276 | 6/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
| ▸ | ACHE | P22303 | 2/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | CASP7 | P55210 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
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 SCHEMBL15392655 | 0.99 | BCHE (0.67) | BCHELMNACYP2D6ADRB2ACHE | |
| SCHEMBL11288904 | 0.97 | BCHE (0.72) | BCHELMNACYP2D6ADRB2ACHE | |
| Bromide SCHEMBL11704943 | 0.96 | BCHE (0.71) | BCHELMNACYP2D6ADRB2ACHE | |
| Hydrochloric Acid SCHEMBL16553266 | 0.96 | BCHE (0.71) | BCHELMNACYP2D6ADRB2ACHE | |
| Ibuterol SCHEMBL118615 | 0.86 | BCHE (0.69) | BCHELMNACYP2D6ADRB2ACHE | |
| Ibuterol SCHEMBL11702776 | 0.84 | BCHE (0.67) | BCHELMNACYP2D6ADRB2ACHE | |
| Divabuterol SCHEMBL2109920 | 0.84 | BCHE (0.71) | BCHELMNACYP2D6ADRB2ACHE | |
| SCHEMBL10614363 | 0.83 | CYP2D6 (0.55) | BCHELMNACYP2D6ADRB2ACHE | |
| Divabuterol SCHEMBL11702548 | 0.83 | BCHE (0.69) | BCHELMNACYP2D6ADRB2ACHE | |
| Bambuterol SCHEMBL4432 | 0.82 | BCHE (1.00) | BCHELMNACYP2D6ADRB2ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11813256-B2 | High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions | PREMIER RESEARCH INTERNATIONAL, LLC | 2023-11-14 | — | — | US | claimed |
| US-20190142818-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOISITON THEREOF FOR TREATMENT OF PULMONARY CONDITIONS | TECHFIELDS PHARMA CO., LTD | 2019-05-16 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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-11813256-B2 | High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions | CPA3, PAH, HCAR2 | ADRB2 1432/4885BCHE 244/4885LMNA 1782/4885 |
| US-20190142818-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOISITON THEREOF FOR TREATMENT OF PULMONARY CONDITIONS | CPA3, HCAR2, HRH4 | ADRB2 1823/4885BCHE 317/4885LMNA 2722/4885 |
“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.