Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | F12 | P00748 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | S100A4 | P26447 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL194555 | 0.98 | PLAU (0.50) | PLAUCYP2A6F12NCF1NOS3 | |
| Hydrochloric Acid SCHEMBL27892483 | 0.96 | PLAU (0.48) | PLAUCYP2A6F12NCF1NOS3 | |
| Formaldehyde SCHEMBL22343884 | 0.94 | PLAU (0.47) | PLAUCYP2A6F12NCF1NOS3 | |
| Boric Acid SCHEMBL27989300 | 0.91 | NCOA3 (0.47) | PLAUCYP2A6F12NCF1NOS3 | |
| Furan SCHEMBL28122491 | 0.89 | S100A4 (0.43) | PLAUCYP2A6F12NCF1NOS3 | |
| Quinoline SCHEMBL28086932 | 0.86 | ALDH1A1 (0.55) | PLAUCYP2A6F12NCF1NOS3 | |
| Quinazoline SCHEMBL28491213 | 0.81 | EGFR (0.57) | PLAUCYP2A6F12NCF1NOS3 | |
| Quinoline SCHEMBL28123047 | 0.80 | ALDH1A1 (0.47) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL25376432 | 0.79 | S100A4 (0.39) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL895053 | 0.78 | PLAU (0.50) | PLAUCYP2A6F12NCF1NOS3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107382858-A | The serial assimilation compound of 1,2,3,4 tetrahydroisoquinoline 4 and its synthetic method and application | 天津师范大学 | 2017-11-24 | — | — | CN | claimed |
| CN-101602725-B | Synthetic method of hexahydroisoquinoline-1-keto compound | UNIV ZHEJIANG | 2012-07-11 | — | — | CN | claimed |
| CN-101602725-A | Hexahydroisoquinolin--1-keto compound and synthetic method thereof | UNIV ZHEJIANG (CN) | 2009-12-16 | — | — | CN | claimed |
| CN-110003274-A | Phosphonylation dihydro-isoquinoline ketone compounds and preparation method thereof | 郑州大学 | 2019-07-12 | — | — | CN | disclosed |
| CN-107778238-A | A kind of new synthetic method of the ketone of 3,4 dihydro-isoquinoline 1 and isoindoline 1 ketone derivatives | 中山大学 | 2018-03-09 | — | — | CN | disclosed |
| CN-102124000-B | Pyridine compounds | ASTRAZENECA AB | 2014-09-17 | — | — | CN | disclosed |
| CN-101602725-B | Synthetic method of hexahydroisoquinoline-1-keto compound | UNIV ZHEJIANG | 2012-07-11 | — | — | CN | disclosed |
| CN-102124000-A | Pyridine compounds | ASTRAZENECA AB | 2011-07-13 | — | — | CN | disclosed |
| CN-101602725-A | Hexahydroisoquinolin--1-keto compound and synthetic method thereof | UNIV ZHEJIANG (CN) | 2009-12-16 | — | — | CN | disclosed |
| CN-101602725-A | Hexahydroisoquinolin--1-keto compound and synthetic method thereof | UNIV ZHEJIANG (CN) | 2009-12-16 | — | — | CN | disclosed |
| CN-101151250-A | Processes for preparing morphinans and intermediates thereof | MALLINCKRODT INC (US) | 2008-03-26 | — | — | CN | disclosed |
| CN-1913778-A | Aminocyclopentyl pyridopyrazinone modulators of chemokine receptor activity | MERCK & CO INC (US) | 2007-02-14 | — | — | CN | disclosed |