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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 1/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | KDM6B | O15054 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | KDM5C | P41229 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.46 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28141566 | 0.90 | CYP2A6 (0.57) | CYP2A6DHODHP4HTMKDM4ELMNA | |
| Acetone SCHEMBL27890173 | 0.89 | CYP2A6 (0.55) | CYP2A6DHODHP4HTMKDM4ELMNA | |
| Dipyridyl SCHEMBL8593361 | 0.88 | KDM4E (0.61) | CYP2A6P4HTMKDM4ELMNACYP1A2 | |
| Propionic Acid SCHEMBL28890093 | 0.84 | CYP1A2 (0.47) | CYP2A6DHODHP4HTMKDM4ELMNA | |
| Dipyridyl SCHEMBL31325211 | 0.84 | KDM4E (0.61) | CYP2A6P4HTMKDM4ELMNACYP1A2 | |
| Dipyridyl SCHEMBL8589845 | 0.84 | KDM4E (0.61) | CYP2A6P4HTMKDM4ELMNACYP1A2 | |
| Dipyridyl SCHEMBL31325209 | 0.84 | KDM4E (0.61) | CYP2A6P4HTMKDM4ELMNACYP1A2 | |
| Dipyridyl SCHEMBL2650932 | 0.84 | KDM4E (0.61) | CYP2A6P4HTMKDM4ELMNACYP1A2 | |
| Dipyridyl SCHEMBL3777747 | 0.84 | KDM4E (0.61) | CYP2A6P4HTMKDM4ELMNACYP1A2 | |
| Dipyridyl SCHEMBL3777742 | 0.84 | KDM4E (0.61) | CYP2A6P4HTMKDM4ELMNACYP1A2 |
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-6462246-B2 | ALKENYLATING AN AROMATIC HYDROCARBON WITH AN OLEFIN IN THE PRESENCE OF BETA-DIKETONE AND RHODIUM COMPLEX CATALYST; WITHOUT USE OF CARBOXYLIC ACID SUCH AS ACETIC ACID | NIPPON MITSUBISHI OIL CORPORATION (JP) | 2002-10-08 | — | — | US | disclosed |
| US-20010037044-A1 | Method of preparing alkenyl-substituted aromatic hydrocarbon | NIPPON MITSUBISHI OIL CORPORATION | 2001-11-01 | — | — | US | 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-20010037044-A1 | Method of preparing alkenyl-substituted aromatic hydrocarbon | AHR, ARNT, ALKBH3 | CYP2A6 89/4885DHODH 70/4885P4HTM 1402/4885 |
“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.