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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.48 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
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 SCHEMBL3883987 | 0.89 | GLA (0.61) | GLATDP1HDAC1HDAC3HDAC4 | |
| Acetic Acid SCHEMBL3883980 | 0.89 | GLA (0.61) | GLATDP1HDAC1HDAC3HDAC4 | |
| Acetone SCHEMBL28318720 | 0.89 | GLA (0.61) | GLATDP1HDAC1HDAC3HDAC4 | |
| Bicarbonate SCHEMBL10585721 | 0.87 | GLA (0.58) | GLATDP1HDAC1HDAC3HDAC4 | |
| Acetamide SCHEMBL11419950 | 0.85 | GLA (0.57) | GLATDP1HDAC1HDAC3HDAC4 | |
| Methyl Alcohol SCHEMBL10861893 | 0.82 | MAOB (0.52) | GLATDP1HDAC1HDAC3HDAC4 | |
| Benzene SCHEMBL1225180 | 0.82 | MAOB (0.58) | GLATDP1HDAC1HDAC3HDAC4 | |
| Benzene SCHEMBL1225177 | 0.82 | MAOB (0.58) | GLATDP1HDAC1HDAC3HDAC4 | |
| SCHEMBL28967 | 0.82 | — | — | |
| SCHEMBL2342 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103904291-A | Aqueous lithium ion battery electrode, preparation method of electrode and aqueous lithium ion battery | HUAWEI TECH CO LTD | 2014-07-02 | — | — | CN | claimed |
| CN-103904291-A | Aqueous lithium ion battery electrode, preparation method of electrode and aqueous lithium ion battery | HUAWEI TECH CO LTD | 2014-07-02 | — | — | CN | disclosed |