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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.37 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL209644 | 0.86 | THRB (0.36) | THRBCYP2C9EPHX1EPHX2ALDH1A1 | |
| Methacrylic Acid SCHEMBL21924975 | 0.86 | THRB (0.36) | THRBCYP2C9EPHX1EPHX2ALDH1A1 | |
| Methyl Alcohol SCHEMBL19283353 | 0.83 | PKM (0.44) | THRBEPHX1EPHX2PKMGAA | |
| SCHEMBL29646136 | 0.83 | PKM (0.48) | THRBEPHX1EPHX2ALDH1A1PKM | |
| SCHEMBL2126658 | 0.83 | PKM (0.48) | THRBEPHX1EPHX2ALDH1A1PKM | |
| SCHEMBL23333268 | 0.83 | PKM (0.48) | THRBEPHX1EPHX2ALDH1A1PKM | |
| SCHEMBL148421 | 0.83 | PKM (0.48) | THRBEPHX1EPHX2ALDH1A1PKM | |
| SCHEMBL1150449 | 0.83 | PKM (0.48) | THRBEPHX1EPHX2ALDH1A1PKM | |
| Glyoxylate SCHEMBL28927465 | 0.80 | THRB (0.48) | THRBCYP2C9EPHX1EPHX2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL572798 | 0.80 | PKM (0.46) | THRBEPHX1EPHX2ALDH1A1PKM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108503571-B | Synthetic method of vildagliptin | 无锡科华生物科技有限公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-108658826-B | Method for preparing vildagliptin | 上海三牧化工技术有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-104370769-B | A kind of method for preparing hydroxyadamantane glycine derivative | 重庆博腾制药科技股份有限公司 | 2017-05-31 | — | — | CN | disclosed |
| US-7816296-B2 | Hindered polyalicyclic alkyl catalysts and their use in a gas-phase polymerization reactor | UNIVATION TECHNOLOGIES, LLC (US) | 2010-10-19 | — | — | US | disclosed |
| US-20100137533-A1 | HINDERED POLYALICYCLIC ALKYL CATALYSTS AND THEIR USE IN A GAS-PHASE POLYMERIZATION REACTOR | UNIVATION TECHNOLOGIES, LLC (US) | 2010-06-03 | — | — | US | disclosed |
| US-20080242821-A1 | Hindered polyalicyclic alkyl catalysts and their use in a gas-phase polymerization reactor | UNIVATION TECHNOLOGIES, LLC (US) | 2008-10-02 | — | — | US | disclosed |
| US-7414099-B2 | Hindered polyalicyclic alkyl catalysts and their use in a gas-phase polymerization reactor | UNIVATION TECHNOLOGIES, LLC (US) | 2008-08-19 | — | — | US | disclosed |
| US-20060128908-A1 | Hindered polyalicyclic alkyl catalysts and their use in a gas-phase polymerization reactor | UNIVATION TECHNOLOGIES, LLC | 2006-06-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080242821-A1 | Hindered polyalicyclic alkyl catalysts and their use in a gas-phase polymerization reactor | PRXL2A, POLR2A, POLR1A | THRB 4403/4885CYP2C9 1776/4885EPHX1 1121/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.