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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 7/20 | 0.33 |
| ▸ | CTSK | P43235 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 3/20 | 0.31 |
| ▸ | CTSB | P07858 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL6133405 | 0.90 | LDHA (0.36) | CTSSCTSKKDM4EALDH1A1CYP2D6 | |
| SCHEMBL8934463 | 0.89 | — | — | |
| Phosphoric Acid SCHEMBL4366917 | 0.83 | ANPEP (0.34) | — | |
| Diisopropanolamine SCHEMBL8948322 | 0.82 | CYP2D6 (0.40) | KDM4EALDH1A1CYP2D6CYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL3939078 | 0.79 | FFAR3 (0.41) | CTSSCTSKMCL1MEN1KMT2A | |
| Diisopropanolamine SCHEMBL29053431 | 0.74 | CYP2D6 (0.42) | KDM4EALDH1A1CYP2D6CYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL6315058 | 0.73 | MCL1 (0.36) | CTSSCTSKMCL1 | |
| Acetic Acid SCHEMBL29169409 | 0.73 | FFAR3 (0.35) | ALDH1A1TDP1MCL1 | |
| Acetic Acid SCHEMBL8950923 | 0.72 | ALDH1A1 (0.41) | KDM4EALDH1A1CYP2D6CYP1A2CYP2C19 | |
| Diisopropanolamine SCHEMBL11598036 | 0.70 | CYP2D6 (0.39) | KDM4EALDH1A1CYP2D6CYP1A2CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2293077-B1 | Methods for detecting coronary artery disease | BG MEDICINE INC (US) | 2014-05-14 | — | — | EP | disclosed |
| US-8321154-B2 | Methods for detecting coronary artery disease | BG MEDICINE, INC. (US) | 2012-11-27 | — | — | US | disclosed |
| EP-2293077-A2 | Methods for detecting coronary artery disease | BG Medicine, Inc. (US) | 2011-03-09 | — | — | EP | disclosed |
| US-20100173346-A1 | METHODS FOR DETECTING CORONARY ARTERY DISEASE | BG MEDICINE, INC. (US) | 2010-07-08 | — | — | US | disclosed |
| EP-2140271-A2 | METHODS FOR DETECTING CORONARY ARTERY DISEASE | BG Medicine, Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008118413-A2 | METHODS FOR DETECTING CORONARY ARTERY DISEASE | BG MEDICINE, INC. (US) | 2008-10-02 | — | — | WO | disclosed |
| US-20050170372-A1 | Methods and systems for profiling biological systems | BG MEDICINE, INC. | 2005-08-04 | — | — | US | disclosed |