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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 15/20 | 0.47 |
| ▸ | NMBR | P28336 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1342 | 0.92 | SIRT2 (0.45) | SIRT2NMBRCYP11B1CYP11B2ENPP2 | |
| SCHEMBL6771514 | 0.91 | SIRT2 (0.44) | SIRT2NMBRCYP11B1CYP11B2ENPP2 | |
| SCHEMBL7713289 | 0.88 | SIRT2 (0.46) | SIRT2NMBR | |
| SCHEMBL9069663 | 0.83 | SIRT2 (0.44) | SIRT2 | |
| SCHEMBL877052 | 0.82 | SIRT2 (0.46) | SIRT2NMBRCYP11B1CYP11B2ENPP2 | |
| SCHEMBL3573464 | 0.82 | SIRT2 (0.49) | SIRT2NMBRCYP2C19 | |
| Alcohol SCHEMBL6432975 | 0.81 | SIRT2 (0.47) | SIRT2NMBR | |
| SCHEMBL7939506 | 0.80 | SIRT2 (0.40) | SIRT2NMBRCYP11B1CYP11B2ENPP2 | |
| SCHEMBL1041048 | 0.80 | SIRT2 (0.49) | SIRT2NMBRCYP11B1CYP11B2ENPP2 | |
| SCHEMBL2002061 | 0.80 | SIRT2 (0.45) | SIRT2NMBRCYP11B1CYP11B2ENPP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6384061-B1 | HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS | LG CHEMICAL LTD. (KR) | 2002-05-07 | — | — | US | disclosed |
| EP-1000036-A1 | HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE | LG CHEMICAL LIMITED (KR) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999005117-A1 | HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE | LG CHEMICAL LTD. (KR) | 1999-02-04 | — | — | WO | disclosed |