Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8106699 | 0.83 | LOX (0.47) | BCAT2KEAP1LOXGAADRD2 | |
| SCHEMBL10887594 | 0.78 | GAA (0.52) | KEAP1GAACA1CA2CA4 | |
| SCHEMBL942877 | 0.75 | G6PD (0.39) | BCAT2LOXGAADRD2HSD11B1 | |
| SCHEMBL2645595 | 0.75 | PSIP1 (0.50) | GAAHSD11B1CA1CA2CA4 | |
| SCHEMBL12307 | 0.74 | L3MBTL1 (0.50) | BCAT2HSD11B1L3MBTL1ALDH1A1TP53 | |
| SCHEMBL28278788 | 0.74 | L3MBTL1 (0.50) | BCAT2HSD11B1L3MBTL1ALDH1A1TP53 | |
| SCHEMBL1808913 | 0.74 | CA2 (0.58) | GAACA1CA2CA4CA6 | |
| SCHEMBL1373436 | 0.74 | TSHR (0.46) | GAACA1CA2CA4CA6 | |
| SCHEMBL11757324 | 0.73 | PSIP1 (0.39) | KEAP1LOXGAAHSD11B1CA1 | |
| SCHEMBL7420444 | 0.73 | DRD2 (0.35) | BCAT2LOXGAADRD2L3MBTL1 |
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 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102558149-A | Pyrimidine derivative, preparation method thereof, medicinal composition and application thereof | INST MATERIA MEDICA CAMS | 2012-07-11 | — | — | CN | claimed |
| JP-2010536773-A | — | — | 2010-12-02 | — | — | JP | claimed |
| EP-2185570-A2 | NOVEL ACTIVATORS OF GLUCOKINASE | Metabasis Therapeutics, Inc. (US) | 2010-05-19 | — | — | EP | claimed |
| WO-2009023718-A2 | NOVEL ACTIVATORS OF GLUCOKINASE | METABASIS THERAPEUTICS, INC. (US) | 2009-02-19 | — | — | WO | claimed |
| CN-101039901-A | Process for making phenoxy benzamide compounds | ASTRAZENECA AB (SE) | 2007-09-19 | — | — | CN | claimed |
| US-6369247-B1 | OXIDATION WITH HYDROPEROXIDE IN THE PRESENCE OF RUTHENIUM CATALYST | MERCK & CO., INC. | 2002-04-09 | — | — | US | claimed |
| EP-0759929-B1 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | MERCK & CO INC (US) | 2000-08-23 | — | — | EP | claimed |
| EP-0858455-A4 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO INC (US) | 2000-04-12 | — | — | EP | claimed |
| US-5998464-A | 4-Oxa and 4-thia steroids | MERCK & CO., INC. (US) | 1999-12-07 | — | — | US | claimed |
| US-5817802-A | IN IONIZING MEDIUM WITH A TRIALKYLSILANE | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | claimed |
| EP-0759929-A4 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | MERCK & CO INC (US) | 1998-09-30 | — | — | EP | claimed |
| EP-0858455-A1 | 4-OXA AND 4-THIA STEROIDS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | claimed |
| US-5777134-A | 4-oxa and 4-thia steriods | MERCK & CO., INC. (US) | 1998-07-07 | — | — | US | claimed |
| US-5696266-A | HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST | MERCK & CO., INC. (US) | 1997-12-09 | — | — | US | claimed |
| WO-1997015564-A1 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO., INC. (US) | 1997-05-01 | — | — | WO | claimed |
| EP-0759929-A1 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | Merck & Co., Inc. (a New Jersey corp.) (US) | 1997-03-05 | — | — | EP | claimed |
| CN-1130391-A | Dye mixtures containing azo dyes having the same colour and coupling component from diaminopyridine series | BASF AG (DE) | 1996-09-04 | — | — | CN | claimed |
| WO-1996007643-A1 | PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS | MERCK & CO., INC. (US) | 1996-03-14 | — | — | WO | claimed |
| WO-1995032215-A1 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | MERCK & CO., INC. (US) | 1995-11-30 | — | — | WO | claimed |
| CN-1083477-A | 4-imino-quinoline, its preparation method and application thereof | HOECHST AG (DE) | 1994-03-09 | — | — | CN | claimed |