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 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL28160629 | 0.92 | CA1 (0.61) | CA1CA4LMNATSHRALDH1A1 | |
| Acetic Acid SCHEMBL28142748 | 0.89 | CA1 (0.64) | CA1CA4LMNATSHRALDH1A1 | |
| Acetone SCHEMBL11147103 | 0.88 | LMNA (0.50) | CA1CA4LMNATSHRALDH1A1 | |
| Acetic Acid SCHEMBL6063716 | 0.86 | CA1 (0.53) | CA1CA4LMNATSHRALDH1A1 | |
| Acetic Acid SCHEMBL14940699 | 0.85 | FFAR3 (0.54) | CA1CA4LMNATSHRALDH1A1 | |
| Acetic Acid SCHEMBL19671 | 0.83 | CA1 (0.89) | CA1CA4LMNATSHRALDH1A1 | |
| Acetic Acid SCHEMBL7262350 | 0.79 | CA1 (0.80) | CA1CA4LMNATSHRALDH1A1 | |
| Acetic Acid SCHEMBL6450089 | 0.79 | CA1 (0.80) | CA1CA4LMNATSHRALDH1A1 | |
| Acetic Acid SCHEMBL11134030 | 0.79 | — | — | |
| Acetic Acid SCHEMBL7111972 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2861645-A1 | CURABLE COMPOSITIONS | Dow Global Technologies LLC (US) | 2015-04-22 | — | — | EP | claimed |
| US-20150087749-A1 | CURABLE COMPOSITIONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2015-03-26 | — | — | US | claimed |
| WO-2013188070-A1 | CURABLE COMPOSITIONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-12-19 | — | — | WO | claimed |
| EP-2776485-A1 | CURABLE COMPOSITIONS | Dow Global Technologies LLC (US) | 2014-09-17 | — | — | EP | disclosed |
| US-20140256909-A1 | CURABLE COMPOSITIONS | BLUE CUBE IP LLC | 2014-09-11 | — | — | US | disclosed |
| WO-2013070393-A1 | CURABLE COMPOSITIONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-05-16 | — | — | WO | disclosed |