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 | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL2353132 | 0.85 | CTSD (0.32) | CTSD | |
| SCHEMBL140407 | 0.85 | CTSD (0.35) | CTSD | |
| Methyl Alcohol SCHEMBL9190282 | 0.83 | CTSD (0.31) | CTSD | |
| Bromide SCHEMBL1539651 | 0.83 | CTSD (0.33) | CTSD | |
| Hydrochloric Acid SCHEMBL138585 | 0.83 | CTSD (0.33) | CTSD | |
| Fluoride SCHEMBL1131128 | 0.83 | CTSD (0.33) | CTSD | |
| Methane SCHEMBL9190165 | 0.80 | CTSD (0.32) | CTSD | |
| Benzoic Acid SCHEMBL7764207 | 0.79 | TSHR (0.48) | — | |
| Isopropyl Alcohol SCHEMBL5278602 | 0.79 | — | — | |
| Alcohol SCHEMBL8160181 | 0.79 | — | — |
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 |