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 | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 SCHEMBL29205026 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL1355955 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL6929104 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL1921971 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL17599238 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL293987 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL17141305 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL293988 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL181242 | 1.00 | THRB (0.59) | THRBMEN1KMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL2905730 | 0.97 | THRB (0.56) | THRBMEN1KMT2AFFAR3LCK |
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-8715737-B2 | Method to make porous materials and their applications | ZHANG ZHUO JOE (US) | 2014-05-06 | — | — | US | disclosed |
| US-20110176997-A1 | METHOD TO MAKE POROUS MATERIALS AND THEIR APPLICATIONS | ZHANG ZHUO JOE | 2011-07-21 | — | — | US | disclosed |