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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA4 | P22748 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.31 |
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 SCHEMBL11695340 | 0.96 | CA1 (0.64) | CA1CA4LMNAALDH1A1TSHR | |
| Acetic Acid SCHEMBL7252670 | 0.93 | CA1 (0.60) | CA1CA4LMNAALDH1A1FFAR3 | |
| Acetic Acid SCHEMBL29264734 | 0.92 | — | — | |
| Acetic Acid SCHEMBL6852068 | 0.92 | — | — | |
| Acetic Acid SCHEMBL7631781 | 0.92 | — | — | |
| Acetic Acid SCHEMBL2162544 | 0.92 | — | — | |
| Acetic Acid SCHEMBL22367795 | 0.92 | — | — | |
| Acetic Acid SCHEMBL8159126 | 0.92 | CA1 (0.61) | CA1CA4LMNAALDH1A1TSHR | |
| Acetic Acid SCHEMBL11696439 | 0.89 | — | — | |
| Acetic Acid SCHEMBL10587971 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8697203-B2 | Paper sizing composition with salt of calcium (II) and organic acid, products made thereby, method of using, and method of making | INTERNATIONAL PAPER COMPANY (US) | 2014-04-15 | — | — | US | claimed |
| WO-2003087028-A9 | A METHOD OF MAKING SALT | TECHNICAL AND COMMERCIAL SERVI (GB) | 2004-12-23 | — | — | WO | disclosed |