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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | TYR | P14679 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL211540 | 0.97 | TSHR (0.71) | TSHRTP53ALDH1A1SMN1; SMN2MAPT | |
| Calcium SCHEMBL31268578 | 0.94 | TSHR (0.67) | TSHRTP53ALDH1A1SMN1; SMN2MAPT | |
| Hydrogen Sulfide SCHEMBL28141612 | 0.94 | TSHR (0.67) | TSHRTP53ALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL29952082 | 0.94 | TSHR (0.67) | TSHRTP53ALDH1A1SMN1; SMN2MAPT | |
| Potassium SCHEMBL31268570 | 0.94 | TSHR (0.67) | TSHRTP53ALDH1A1SMN1; SMN2MAPT | |
| Barium SCHEMBL31268595 | 0.94 | TSHR (0.67) | TSHRTP53ALDH1A1SMN1; SMN2MAPT | |
| Terephthalic Acid SCHEMBL8209798 | 0.91 | TSHR (0.80) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| Terephthalic Acid SCHEMBL123278 | 0.91 | TSHR (0.80) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| Terephthalic Acid SCHEMBL28358071 | 0.91 | TSHR (0.80) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| Acetic Acid SCHEMBL28009208 | 0.91 | MAPT (0.67) | TSHRTP53ALDH1A1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1215216-B1 | Cellulose ester of aromatic carboxylic acid | FUJI PHOTO FILM CO LTD (JP) | 2005-07-27 | — | — | EP | disclosed |
| EP-1215216-A1 | Cellulose ester of aromatic carboxylic acid | FUJI PHOTO FILM CO., LTD. (JP) | 2002-06-19 | — | — | EP | disclosed |