Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL1451346 | 0.84 | LTA4H (0.55) | MAOAMAOBLTA4HTSHRKMT2A | |
| SCHEMBL28129945 | 0.80 | MAPT (0.42) | MAOBKMT2AALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL6003349 | 0.78 | LTA4H (0.48) | MAOAMAOBLTA4HTSHRKMT2A | |
| SCHEMBL10337545 | 0.77 | LTA4H (0.46) | MAOAMAOBLTA4HTSHRKMT2A | |
| SCHEMBL1765125 | 0.75 | LTA4H (0.44) | MAOAMAOBLTA4HTSHRKMT2A | |
| SCHEMBL18274775 | 0.75 | LTA4H (0.50) | MAOAMAOBLTA4HTSHRKMT2A | |
| SCHEMBL4256585 | 0.71 | — | — | |
| SCHEMBL27690262 | 0.71 | — | — | |
| SCHEMBL7314969 | 0.71 | LTA4H (0.39) | MAOAMAOBLTA4HTSHRKMT2A | |
| SCHEMBL27556138 | 0.71 | MAOB (0.52) | MAOAMAOBLTA4HTSHRSMN1; SMN2 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108779095-A | Methods of treating cancer using pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2018-11-09 | — | — | CN | claimed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5916899-A | SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. | TREGA BIOSCIENCES, INC. (US) | 1999-06-29 | — | — | US | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| CN-108779095-A | Methods of treating cancer using pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-106831732-A | The composition and method of pyrimidine and pyridine compounds of the production with BTK inhibitory activity | 默克专利有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-103814016-B | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2017-03-08 | — | — | CN | disclosed |
| US-6768024-B1 | CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION | LION BIOSCIENCE AG (DE) | 2004-07-27 | — | — | US | disclosed |
| US-6608082-B1 | Treatment of erectile dysfunction using isoquinoline compound melanocortin receptor ligands | LION BIOSCIENCE AG (DE) | 2003-08-19 | — | — | US | disclosed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | disclosed |
| US-5916899-A | SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. | TREGA BIOSCIENCES, INC. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |