Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 2-Ethylhexanoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.92 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 7/20 | 0.55 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL8747680 | 0.96 | CA2 (0.84) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL10809985 | 0.96 | CA2 (0.84) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL9579941 | 0.96 | CA2 (0.84) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL10936714 | 0.96 | CA2 (0.84) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL8582572 | 0.96 | CA2 (0.84) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL56210 | 0.96 | CA2 (1.00) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL9147740 | 0.96 | CA2 (1.00) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL6062429 | 0.94 | CA2 (0.81) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL11119855 | 0.94 | CA2 (0.81) | CA2MAPK1NFKB1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL3649881 | 0.94 | CA2 (0.96) | CA2MAPK1NFKB1CYP3A4TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004050663-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF CEFUROXIME SODIUM | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2004-06-17 | — | — | WO | claimed |
| WO-2004041831-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF CEFUROXIME SODIUM | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2004-05-21 | — | — | WO | claimed |
| US-20040092735-A1 | Process for the preparation of cefuroxime sodium | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2004-05-13 | — | — | US | claimed |
| US-9688677-B1 | Process for preparation of sodium (2S, 5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate | WOCKHARDT LIMITED (IN) | 2017-06-27 | — | — | US | disclosed |
| US-20170174686-A1 | PROCESS FOR PREPARATION OF SODIUM (2S, 5R)-6-(BENZYLOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE | WOCKHARDT LIMITED (IN) | 2017-06-22 | — | — | US | disclosed |
| EP-3126363-A1 | A PROCESS FOR PREPARATION OF SODIUM (2S, 5R)-6-(BENZYLOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE | Wockhardt Limited (IN) | 2017-02-08 | — | — | EP | disclosed |
| WO-2015150941-A1 | A PROCESS FOR PREPARATION OF SODIUM (2S, 5R)-6-(BENZYLOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE | WOCKHARDT LIMITED (IN) | 2015-10-08 | — | — | 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 (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-20170174686-A1 | PROCESS FOR PREPARATION OF SODIUM (2S, 5R)-6-(BENZYLOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE | SCN1B, SCN7A, ANO2 | CA2 198/4885MAPK1 808/4885NFKB1 1298/4885 |
| US-20040092735-A1 | Process for the preparation of cefuroxime sodium | CYP2F1, CYP51A1, CYP17A1 | CA2 1153/4885MAPK1 1505/4885NFKB1 2016/4885 |
“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.