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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 10/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | GGT1 | P19440 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 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 | |
|---|---|---|---|---|
| SCHEMBL45766 | 0.95 | FOLH1 (0.49) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| SCHEMBL6676701 | 0.95 | FOLH1 (0.49) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| Hydrochloric Acid SCHEMBL15923088 | 0.94 | FOLH1 (0.47) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| SCHEMBL3433410 | 0.90 | FOLH1 (0.42) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| SCHEMBL232126 | 0.90 | FOLH1 (0.42) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| SCHEMBL27799398 | 0.90 | FOLH1 (0.42) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| Hydrochloric Acid SCHEMBL15923983 | 0.89 | FOLH1 (0.41) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| SCHEMBL268742 | 0.81 | SIRT6 (0.35) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| SCHEMBL16861027 | 0.79 | FOLH1 (0.50) | FOLH1SLC6A5GSRRNPEPCPB2 | |
| SCHEMBL5586435 | 0.79 | FOLH1 (0.50) | FOLH1SLC6A5GSRRNPEPCPB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180318307-A1 | METHODS OF USE OF INHIBITORS OF PHOSPHODIESTERASES AND MODULATORS OF NITRIC OXIDE, REACTIVE OXYGEN SPECIES, AND METALLOPROTEINASES IN THE TREATMENT OF PEYRONIE'S DISEASE, ARTERIOSCLEROSIS AND OTHER FIBROTIC DISEASES | LOS ANGELES BIOMEDICAL RES INSTITUTE AT HARBO (US) | 2018-11-08 | — | — | US | disclosed |
| US-20170239257-A1 | Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases | LOS ANGELES BIOMEDICAL RES INST AT HARBOR- UCLA MEDICAL CENTER (US) | 2017-08-24 | — | — | US | disclosed |
| US-20140350021-A1 | Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases | LOS ANGELES BIOMED RES INST (US) | 2014-11-27 | — | — | US | disclosed |
| US-20140200219-A1 | Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2014-07-17 | — | — | US | disclosed |
| US-20120141454-A1 | Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2012-06-07 | — | — | US | disclosed |
| US-8133903-B2 | Methods of use of inhibitors of phosphodiesterases and modulators of nitric oxide, reactive oxygen species, and metalloproteinases in the treatment of peyronie's disease, arteriosclerosis and other fibrotic diseases | Los Angeles Biomedical Research Institute at Harbor—UCLA Medical Center (US) | 2012-03-13 | — | — | US | disclosed |
| US-20050085486-A1 | Prevention, therapy of fibrosis ; sexual disordrs; wound healing agents; restenosis; hypotensive agents; oxidation resistance | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER | 2005-04-21 | — | — | US | disclosed |
| WO-2004037183-A2 | PHOSPHODIESTER INHIBITORS AND NITRIC OXIDE MODULATORS FOR TREATING PEYRONIE’S DISEASE, ARTERIOSCLEROSIS AND OTHER FIBROTIC DISEASES | HARBOR-UCLA RESEARCH AND EDUCATION INSTITUTE (US) | 2004-05-06 | — | — | WO | disclosed |