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 | |
|---|---|---|---|---|
| ▸ | SSTR5 known ✓ | P35346 | 1/20 | 0.31 |
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12463708 | 0.83 | SLC7A5 (0.47) | KDM4EMEN1KMT2AHSD17B10ALOX15 | |
| SCHEMBL13018533 | 0.82 | CTSB (0.42) | CTSBCYP3A4 | |
| SCHEMBL6155424 | 0.81 | CYP4F2 (0.36) | CTSBALOX15ALOX12 | |
| SCHEMBL20362259 | 0.80 | ALOX15 (0.38) | KDM4EHSD17B10CTSBALOX15ALOX12 | |
| SCHEMBL19143597 | 0.80 | ALOX15 (0.40) | ALOX15ALOX12 | |
| SCHEMBL23612464 | 0.80 | GAA (0.37) | SMN1; SMN2GAAALDH1A1CTSBMGAM | |
| SCHEMBL23612453 | 0.79 | PARP1 (0.42) | L3MBTL1ALOX15ALOX12 | |
| SCHEMBL6189927 | 0.78 | PTGS2 (0.38) | KDM4EGAAALDH1A1MAPTCTSB | |
| SCHEMBL5534700 | 0.78 | HIF1A (0.32) | MAPTCTSBCYP3A4ALOX15ALOX12 | |
| SCHEMBL6157517 | 0.78 | HIF1A (0.35) | ALOX15ALOX12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070185104-A1 | Benzoxazole acetonitriles | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2007-08-09 | — | — | 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-20070185104-A1 | Benzoxazole acetonitriles | PKD1, PC, GPR119 | SSTR5 371/4885NOS3 2348/4885NOS1 3110/4885 |
“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.