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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.80 |
| ▸ | CA4 | P22748 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 SCHEMBL10955029 | 1.00 | CA1 (0.80) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL6137282 | 1.00 | — | — | |
| Acetic Acid SCHEMBL10956871 | 0.95 | CA1 (0.73) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL1987748 | 0.95 | CA1 (0.82) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL18529905 | 0.95 | CA1 (0.73) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL10777299 | 0.95 | CA1 (0.73) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL449428 | 0.95 | CA1 (0.82) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL2407889 | 0.95 | CA1 (0.89) | CA1CA4LMNATSHRFFAR3 | |
| Acetic Acid SCHEMBL23872 | 0.95 | — | — | |
| Acetic Acid SCHEMBL586756 | 0.95 | CA1 (0.89) | CA1CA4LMNATSHRFFAR3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-62282012-A | — | — | None | — | — | JP | disclosed |
| US-8652593-B2 | Printable substrates with improved brightness from OBAs in presence of multivalent metal salts | INTERNATIONAL PAPER COMPANY (US) | 2014-02-18 | — | — | US | disclosed |
| US-8445082-B2 | — | — | 2013-05-21 | — | — | US | disclosed |
| WO-2011084396-A1 | PRINTABLE SUBSTRATES WITH IMPROVED BRIGHTNESS FROM OBAS IN PRESENCE OF MULTIVALENT METAL SALTS | INTERNATIONAL PAPER COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |
| US-20110151149-A1 | Printable Substrates with Improved Brightness from OBAs in Presence of Multivalent Metal Salts | INTERNATIONAL PAPER COMPANY (US) | 2011-06-23 | — | — | US | disclosed |
| JP-S62282012-A | PROCESSING OF RAW SILK | TAKESHITATOSHI:KK | 1987-12-07 | — | — | JP | disclosed |