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 | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.52 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
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 SCHEMBL27502736 | 0.91 | NR4A1 (0.45) | NR4A1NR4A2NR4A3CES2CES1 | |
| Chloromethane SCHEMBL27654434 | 0.86 | CYP19A1 (0.53) | CES2CES1CNR2CYP11B1CYP11B2 | |
| SCHEMBL196588 | 0.83 | CYP19A1 (0.55) | CES2CES1CYP19A1MEN1KMT2A | |
| SCHEMBL28777340 | 0.83 | CYP19A1 (0.55) | CES2CES1CYP19A1MEN1KMT2A | |
| Phosphine SCHEMBL28854143 | 0.81 | CYP19A1 (0.53) | CES2CES1CYP19A1MEN1KMT2A | |
| SCHEMBL27896762 | 0.81 | CYP19A1 (0.53) | CES2CES1CYP19A1MEN1KMT2A | |
| Water SCHEMBL28260933 | 0.81 | CYP19A1 (0.53) | CES2CES1CYP19A1MEN1KMT2A | |
| Water SCHEMBL28855946 | 0.81 | CYP19A1 (0.53) | CES2CES1CYP19A1MEN1KMT2A | |
| Hydrogen Sulfide SCHEMBL28292229 | 0.81 | CYP19A1 (0.53) | CES2CES1CYP19A1MEN1KMT2A | |
| SCHEMBL11057221 | 0.81 | SRD5A2 (0.68) | CES2CES1CYP11B1CYP11B2SRD5A2 |
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-8802771-B2 | Two component polyurethane coating compositions comprising isocyanurate compositions from bis(isocyanatomethyl) cyclohexane and from aliphatic diisocyanates | DOW GLOBAL TECHNOLOGIES LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-20120130016-A1 | TWO COMPONENT POLYURETHANE COATING COMPOSITIONS COMPRISING ISOCYANURATE COMPOSITIONS FROM BIS(ISOCYANATOMETHYL) CYCLOHEXANE AND FROM ALIPHATIC DIISOCYANATES | ROHM AND HAAS COMPANY | 2012-05-24 | — | — | US | disclosed |
| US-8039501-B2 | Synephrine derivatives useful as anti-inflammatory agents | UNIVERSITEIT GENT (BE) | 2011-10-18 | — | — | US | disclosed |
| US-20090029999-A1 | Synephrine derivatives useful as anti-inflammatory agents | UNIVERSITEIT GENT (BE) | 2009-01-29 | — | — | 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-20090029999-A1 | Synephrine derivatives useful as anti-inflammatory agents | HRH1, HRH3, HRH2 | NR4A1 1589/4885NR4A2 2089/4885NR4A3 1067/4885 |
“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.