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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28792617 | 0.97 | TDP1 (0.43) | TDP1ALDH1A1TSHRFFAR3LCK | |
| SCHEMBL27795848 | 0.94 | TDP1 (0.45) | TDP1ALDH1A1TSHRFFAR3LCK | |
| Acetone SCHEMBL27856457 | 0.94 | TDP1 (0.45) | TDP1ALDH1A1TSHRFFAR3LCK | |
| Methacrylic Acid SCHEMBL6518135 | 0.92 | TDP1 (0.43) | TDP1ALDH1A1TSHRFFAR3LCK | |
| SCHEMBL28187937 | 0.92 | TDP1 (0.58) | TDP1ALDH1A1TSHRFFAR3LCK | |
| Ethane SCHEMBL3278228 | 0.92 | — | — | |
| Water SCHEMBL21525772 | 0.91 | — | — | |
| Water SCHEMBL27627574 | 0.91 | ALDH1A1 (0.42) | TDP1ALDH1A1TSHR | |
| SCHEMBL20472689 | 0.91 | ALDH1A1 (0.42) | TDP1ALDH1A1TSHR | |
| SCHEMBL10422 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1403164-A | Special glue for treating hernia (the application of alpha-cyanacrylate in preparation of medical adhesive for treating hernia) | SHI PING AN (CN) | 2003-03-19 | — | — | CN | disclosed |
| US-20020064608-A1 | Bundle of artificial flowers and a manufacturing method thereof | HIROSHIMA GLASS KOBO CO., LTD. (JP) | 2002-05-30 | — | — | US | disclosed |