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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL58 | 0.83 | — | — | |
| SCHEMBL2201542 | 0.83 | — | — | |
| SCHEMBL4011609 | 0.83 | BRD4 (0.30) | — | |
| Benzene SCHEMBL11532219 | 0.80 | PARL (0.39) | CA12CA1CA9KMT2APOLB | |
| Fluoride SCHEMBL7176780 | 0.80 | — | — | |
| Bromide SCHEMBL4047360 | 0.80 | — | — | |
| Iodide SCHEMBL31365449 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL22660281 | 0.78 | GAA (0.32) | CA12CA1CA9MAPK1 | |
| Methylsulfanylmethane SCHEMBL2352105 | 0.78 | BRD4 (0.31) | — | |
| Bromide SCHEMBL10565259 | 0.77 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110229170-B | Preparation method of 5-aza Marangucycline B | 华东师范大学 | 2022-01-11 | — | — | CN | claimed |
| CN-110229170-B | Preparation method of 5-aza Marangucycline B | 华东师范大学 | 2022-01-11 | — | — | CN | disclosed |
| CN-106986867-B | Heterocycle amine as PI3K inhibitor | 因塞特控股公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-109010343-A | The purposes of Pyrazolopyrimidine derivative treatment PI3K δ associated disease | 因赛特公司 | 2018-12-18 | — | — | CN | disclosed |
| CN-105120871-B | Use of pyrazolopyrimidine derivatives for the treatment of PI 3K-related disorders | 因赛特公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-106986867-A | It is used as the heterocyclic radical amine of PI3K inhibitor | 因塞特控股公司 | 2017-07-28 | — | — | CN | disclosed |
| EP-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |
| CN-1031534-A | The method for preparing the 3-exomethylenecepham derivatives | GIST BROCADES NV (NL) | 1989-03-08 | — | — | CN | disclosed |