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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
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 SCHEMBL27678300 | 0.97 | TDP1 (0.88) | TDP1HSD17B10ALDH1A1TSHRFFAR3 | |
| SCHEMBL28146932 | 0.94 | — | — | |
| SCHEMBL28079040 | 0.91 | TDP1 (1.00) | TDP1HSD17B10ALDH1A1TSHRFFAR3 | |
| SCHEMBL24573 | 0.91 | — | — | |
| Benzene SCHEMBL11792513 | 0.88 | HSD17B10 (0.82) | TDP1HSD17B10ALDH1A1TSHRFFAR3 | |
| Methyl Alcohol SCHEMBL2833259 | 0.88 | — | — | |
| Methane SCHEMBL28994664 | 0.88 | — | — | |
| Acetone SCHEMBL7194632 | 0.88 | TDP1 (0.93) | TDP1HSD17B10ALDH1A1TSHR | |
| Water SCHEMBL28846980 | 0.88 | — | — | |
| Acetic Acid SCHEMBL8672176 | 0.84 | TDP1 (0.65) | TDP1HSD17B10ALDH1A1TSHRFFAR3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1625248-A1 | BASALT CONTAINING FABRIC | Groep Masureel Veredeling (BE) | 2006-02-15 | — | — | EP | disclosed |
| EP-1608805-A1 | BASALT CONTAINING FABRIC | Groep Masureel Veredeling (BE) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004101872-A1 | BASALT CONTAINING FABRIC | GROEP MASUREEL VEREDELING (BE) | 2004-11-25 | — | — | WO | disclosed |
| WO-2004088019-A1 | BASALT CONTAINING FABRIC | GROEP MASUREEL VEREDELING (BE) | 2004-10-14 | — | — | WO | disclosed |