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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.39 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.60 |
| ▸ | FNTB | P49356 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL8752386 | 0.99 | FNTA (0.61) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL2120270 | 0.99 | FNTA (0.61) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL21243060 | 0.99 | FNTA (0.61) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL17992570 | 0.99 | FNTA (0.61) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL25784983 | 0.90 | FNTA (0.51) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL12156704 | 0.90 | FNTA (0.59) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL22038641 | 0.90 | FNTA (0.51) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL10394983 | 0.89 | FNTA (0.49) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL9069884 | 0.87 | NFKB1 (0.58) | FNTAFNTBLMNASMN1; SMN2NFKB1 | |
| SCHEMBL9073533 | 0.86 | FNTA (0.51) | FNTAFNTBLMNASMN1; SMN2NFKB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8049021-B2 | Fluorination; catalytic acetylation | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-11-01 | — | — | US | claimed |
| US-20080234506-A1 | PROCESS FOR THE PREPARATION OF FLUOROTETRAENE | DR. REDDY'S LABORATORIES LIMITED (IN) | 2008-09-25 | — | — | US | claimed |
| CN-105566426-B | Synthesis method for 16alpha-hydroxyprednisolone | 山东赛托生物科技股份有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-105566426-A | Synthesis method for 16alpha-hydroxyprednisolone | SHANDONG SAITUO BIOTECHNOLOGY CO LTD | 2016-05-11 | — | — | CN | disclosed |
| US-8049021-B2 | Fluorination; catalytic acetylation | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-11-01 | — | — | US | disclosed |
| US-20080234506-A1 | PROCESS FOR THE PREPARATION OF FLUOROTETRAENE | DR. REDDY'S LABORATORIES LIMITED (IN) | 2008-09-25 | — | — | 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-20080234506-A1 | PROCESS FOR THE PREPARATION OF FLUOROTETRAENE | CYP17A1, CYP21A2, CYP19A1 | ADRB2 982/4885ADRA2A 529/4885ADRA2C 771/4885 |
“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.