Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.90 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.56 |
| ▸ | MMP3 | P08254 | 1/20 | 0.56 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL28890607 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL30629023 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL30108088 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL4002609 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL164 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL29560186 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL29008551 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL2548048 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL1358618 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL153763 | 0.95 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1127886-B1 | Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one | HOFFMANN LA ROCHE (CH) | 2003-05-07 | — | — | EP | claimed |
| US-6552204-B1 | Lactonization of an acyl halide and a ketene acetal or reacting acyl halide with malonate half acid then cyclizing; high yield | ROCHE COLORADO CORPORATION | 2003-04-22 | — | — | US | claimed |
| EP-0906916-B1 | PROCESS FOR PRODUCING ORGANOPHOSPHORUS COMPOUNDS | SANKO KAIHATSU KAGAKU KENK (JP) | 2003-03-12 | — | — | EP | claimed |
| EP-1127886-A1 | Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one | F. HOFFMANN-LA ROCHE AG (CH) | 2001-08-29 | — | — | EP | claimed |
| US-6107506-A | Process for producing 2-(2-hydroxyphenyl) phenylphosphinic acid and derivatives | SANKO KAIHATSU KAGAKU KENKYUSHO (JP) | 2000-08-22 | — | — | US | claimed |
| EP-0906916-A1 | PROCESS FOR PRODUCING ORGANOPHOSPHORUS COMPOUNDS | Sanko Kaihatsu Kagaku Kenkyusho (JP) | 1999-04-07 | — | — | EP | claimed |
| EP-1090922-B1 | Organophosphorous composition, method of producing organophosphorous compound, polyester composition and method of producing the same | TOYO BOSEKI (JP) | 2005-08-24 | — | — | EP | disclosed |
| JP-2004346078-A | SYNTHESIS OF 3, 6-DIALKYL-5, 6-DIHYDRO-4-HYDROXY-2H-PYRAN-2-YL | F HOFFMANN LA ROCHE AG | 2004-12-09 | — | — | JP | disclosed |
| EP-1127886-B1 | Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one | HOFFMANN LA ROCHE (CH) | 2003-05-07 | — | — | EP | disclosed |
| US-6552204-B1 | Lactonization of an acyl halide and a ketene acetal or reacting acyl halide with malonate half acid then cyclizing; high yield | ROCHE COLORADO CORPORATION | 2003-04-22 | — | — | US | disclosed |
| EP-0906916-B1 | PROCESS FOR PRODUCING ORGANOPHOSPHORUS COMPOUNDS | SANKO KAIHATSU KAGAKU KENK (JP) | 2003-03-12 | — | — | EP | disclosed |
| EP-0906916-B1 | PROCESS FOR PRODUCING ORGANOPHOSPHORUS COMPOUNDS | SANKO KAIHATSU KAGAKU KENK (JP) | 2003-03-12 | — | — | EP | disclosed |
| EP-1127886-A1 | Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one | F. HOFFMANN-LA ROCHE AG (CH) | 2001-08-29 | — | — | EP | disclosed |
| US-6107506-A | Process for producing 2-(2-hydroxyphenyl) phenylphosphinic acid and derivatives | SANKO KAIHATSU KAGAKU KENKYUSHO (JP) | 2000-08-22 | — | — | US | disclosed |
| US-6107506-A | Process for producing 2-(2-hydroxyphenyl) phenylphosphinic acid and derivatives | SANKO KAIHATSU KAGAKU KENKYUSHO (JP) | 2000-08-22 | — | — | US | disclosed |
| EP-0906916-A1 | PROCESS FOR PRODUCING ORGANOPHOSPHORUS COMPOUNDS | Sanko Kaihatsu Kagaku Kenkyusho (JP) | 1999-04-07 | — | — | EP | disclosed |
| EP-0906916-A1 | PROCESS FOR PRODUCING ORGANOPHOSPHORUS COMPOUNDS | Sanko Kaihatsu Kagaku Kenkyusho (JP) | 1999-04-07 | — | — | EP | disclosed |
| EP-0906916-A4 | — | — | 1999-04-07 | — | — | EP | disclosed |
| WO-1997015580-A1 | PROCESS FOR PRODUCING ORGANOPHOSPHORUS COMPOUNDS | SANKO KAIHATSU KAGAKU KENKYUSHO (JP) | 1997-05-01 | — | — | WO | disclosed |