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 2)
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8160951 | 0.84 | — | — | |
| SCHEMBL6933930 | 0.84 | CTSD (0.32) | CTSD | |
| Trifluoroacetic Acid SCHEMBL8089245 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL138584 | 0.81 | CTSD (0.33) | CTSD | |
| Fluoride Ion SCHEMBL7642596 | 0.81 | CTSD (0.33) | CTSD | |
| Bromide SCHEMBL1539648 | 0.81 | CTSD (0.33) | CTSD | |
| SCHEMBL7764160 | 0.80 | MEN1 (0.30) | — | |
| Fluoride Ion SCHEMBL8084203 | 0.79 | CA1 (0.35) | CA1 | |
| SCHEMBL3026170 | 0.77 | — | — | |
| SCHEMBL8665894 | 0.77 | CTSD (0.30) | CTSD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1102795-A1 | UNBRIDGED MONOCYCLOPENTADIENYL METAL COMPLEX CATALYST HAVING IMPROVED TOLERANCE OF MODIFIED METHYLALUMINOXANE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2001-05-30 | — | — | EP | disclosed |
| EP-0989139-A1 | Unbridged monocyclopentadienyl metal complex catalyst for olefin polymerization by reacting with particulate solids with functional groups | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-03-29 | — | — | EP | disclosed |
| WO-2000006614-A1 | UNBRIDGED MONOCYCLOPENTADIENYL METAL COMPLEX CATALYST HAVING IMPROVED TOLERANCE OF MODIFIED METHYLALUMINOXANE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |