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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 SCHEMBL22217471 | 0.96 | CA1 (0.61) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL28229834 | 0.93 | CA1 (0.57) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL28637775 | 0.93 | CA1 (0.57) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL28122300 | 0.93 | CA1 (0.57) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL11694955 | 0.93 | CA1 (0.64) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL28924417 | 0.93 | CA1 (0.57) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL9621652 | 0.93 | — | — | |
| Acetic Acid SCHEMBL5571552 | 0.93 | CA1 (0.57) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL1279132 | 0.93 | CA1 (0.57) | CA1TSHRALDH1A1CA4TDP1 | |
| Acetic Acid SCHEMBL25381310 | 0.89 | CA1 (0.61) | CA1TSHRALDH1A1CA4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024247714-A1 | LIGHT-ABSORBING COMPOSITION, METHOD FOR PRODUCING LIGHT-ABSORBING COMPOSITION, COMPOSITION FOR LIGHT-ABSORBING FILM, AND LIGHT-ABSORBING FILM | 日本板硝子株式会社 | 2024-12-05 | — | — | WO | disclosed |
| CN-107344096-A | A kind of gas-chromatography filler that can divide analysis of variance hydrogen isotope and preparation method thereof | 北京化工大学 | 2017-11-14 | — | — | CN | disclosed |