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 | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | KDM5C | P41229 | 5/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.42 |
| ▸ | KDM4A | O75164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM6B | O15054 | 3/20 | 0.42 |
| ▸ | KDM2A | Q9Y2K7 | 3/20 | 0.42 |
| ▸ | KDM3A | Q9Y4C1 | 3/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.42 |
| ▸ | TET3 | O43151 | 1/20 | 0.42 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | ASPH | Q12797 | 1/20 | 0.42 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.42 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL21630012 | 0.85 | — | — | |
| SCHEMBL632201 | 0.83 | — | — | |
| Alanine SCHEMBL7863084 | 0.82 | MAP4K4 (0.43) | KMOMAP4K4LOXL2KDM4EKDM5C | |
| Methylamine SCHEMBL4819184 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28823448 | 0.80 | — | — | |
| SCHEMBL28319348 | 0.79 | AAK1 (0.40) | KMOMAP4K4KDM4EKDM5CKDM4C | |
| SCHEMBL16390982 | 0.78 | — | — | |
| Ethylene SCHEMBL28883508 | 0.78 | — | — | |
| Boric Acid SCHEMBL8755222 | 0.76 | HSD17B1 (0.40) | KMOMAP4K4LOXL2ASIC3CYP2A6 | |
| Pyridine SCHEMBL102868 | 0.74 | ASIC3 (0.47) | LOXL2KDM4EALDH1A1MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140322165-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY INC (US) | 2014-10-30 | — | — | US | disclosed |
| EP-2651906-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | Cocrystal Discovery, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083105-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL DISCOVERY, INC. (US) | 2012-06-21 | — | — | 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-20140322165-A1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | POLR2A, POLR2B, POLR2E | KMO 4459/4885MAP4K4 3702/4885LOXL2 4061/4885 |
“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.