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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 17/20 | 0.62 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL610259 | 0.93 | LIPE (0.63) | LIPEMETAP2 | |
| SCHEMBL744515 | 0.83 | LIPE (0.64) | LIPEMETAP2 | |
| SCHEMBL10133 | 0.81 | LIPE (0.73) | LIPEMETAP2 | |
| SCHEMBL1589204 | 0.81 | LIPE (0.73) | LIPEMETAP2 | |
| SCHEMBL10134 | 0.81 | LIPE (0.73) | LIPEMETAP2 | |
| SCHEMBL5460 | 0.80 | LIPE (0.69) | LIPE | |
| SCHEMBL11375 | 0.80 | LIPE (0.69) | LIPE | |
| SCHEMBL1588969 | 0.80 | LIPE (0.69) | LIPE | |
| SCHEMBL12724116 | 0.80 | LIPE (0.65) | LIPE | |
| SCHEMBL10163 | 0.79 | LIPE (0.64) | LIPEMETAP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2430023-B1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-12-11 | — | — | EP | disclosed |
| US-8329904-B2 | Azacyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |
| EP-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | disclosed |
| US-20100292212-A1 | NEW AZACYCLIC DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | 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-20100292212-A1 | NEW AZACYCLIC DERIVATIVES | GPR119, LDLR, LPL | LIPE 10/4885METAP2 2017/4885P2RY1 634/4885 |
“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.