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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 SCHEMBL2473166 | 0.96 | SMN1; SMN2 (0.57) | SMN1; SMN2MAPTL3MBTL1HTTFFAR3 | |
| Acetic Acid SCHEMBL27763922 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2MAPTL3MBTL1HTTFFAR3 | |
| Biphenyl SCHEMBL31099242 | 0.87 | SMN1; SMN2 (0.64) | SMN1; SMN2MAPTL3MBTL1HTTHSD17B10 | |
| Acetone SCHEMBL5003447 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2MAPTL3MBTL1HTTHSD17B1 | |
| Acetic Acid SCHEMBL9809831 | 0.84 | HSD17B1 (0.68) | SMN1; SMN2MAPTHSD17B1HSD17B10BCL2L1 | |
| Acetic Acid SCHEMBL15333210 | 0.84 | SMN1; SMN2 (0.55) | SMN1; SMN2MAPTHSD17B10RXRARXRB | |
| Biphenyl SCHEMBL29059196 | 0.83 | SMN1; SMN2 (0.67) | SMN1; SMN2MAPTL3MBTL1HTTHSD17B10 | |
| Pyruvate SCHEMBL4627034 | 0.83 | SMN1; SMN2 (0.52) | SMN1; SMN2MAPTL3MBTL1HTTHSD17B1 | |
| Biphenyl SCHEMBL538359 | 0.83 | SMN1; SMN2 (0.67) | SMN1; SMN2MAPTL3MBTL1HTTHSD17B10 | |
| Biphenyl SCHEMBL15332958 | 0.83 | SMN1; SMN2 (0.67) | SMN1; SMN2MAPTL3MBTL1HTTHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170066754-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2017-03-09 | — | — | US | disclosed |
| US-9572813-B2 | Antiviral agent | SHIONOGI & CO., LTD. (JP) | 2017-02-21 | — | — | US | disclosed |
| US-20150202208-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2015-07-23 | — | — | US | disclosed |
| EP-1422218-B1 | ANTIVIRAL AGENT | SHIONOGI & CO (JP) | 2012-03-21 | — | — | EP | 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 (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-20150202208-A1 | ANTIVIRAL AGENT | ZC3HAV1, ZC3HAV1L, CCNI | ESR1 1135/4885ESR2 2234/4885SMN1; SMN2 3746/4885 |
| US-20170066754-A1 | ANTIVIRAL AGENT | ZC3HAV1, ZC3HAV1L, CCNI | ESR1 1135/4885ESR2 2234/4885SMN1; SMN2 3746/4885 |
“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.