Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.53 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.48 |
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7669024 | 0.86 | PARP1 (0.55) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL17672270 | 0.83 | PLA2G2A (0.59) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL509423 | 0.82 | LOXL2 (0.66) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL1421808 | 0.82 | FOLH1 (0.66) | MEP1BFOLH1KMT2A | |
| SCHEMBL29364575 | 0.82 | LOXL2 (0.66) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL2734990 | 0.82 | PRSS1 (0.66) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL18652178 | 0.81 | LOXL2 (0.49) | FOLH1TDP1MEN1KMT2ALOXL2 | |
| SCHEMBL7021382 | 0.80 | PARP1 (0.57) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL1634149 | 0.80 | PARP1 (0.53) | PARP1MEP1BFOLH1IDH1TSHR | |
| SCHEMBL185773 | 0.80 | PARP1 (0.57) | PARP1MEP1BFOLH1IDH1TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |
| CN-105294597-B | Benzothiazine derivatives and its synthetic method and application | 华东师范大学 | 2017-11-24 | — | — | CN | disclosed |
| CN-102947293-B | Triazole-substituted anthranilamides as pesticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-02-24 | — | — | CN | disclosed |
| CN-105294597-A | Benzothiazine derivative, and synthetic method and application thereof | UNIV EAST CHINA NORMAL | 2016-02-03 | — | — | CN | disclosed |
| CN-104045581-B | A kind of method preparing N-isopropyl cyanide benzamide derivatives | SUZHOU UNIVERSITY (CN) | 2015-10-28 | — | — | CN | disclosed |
| CN-104045581-A | Method for preparing N-isobutyronitrile benzamide ramification | UNIV SOOCHOW | 2014-09-17 | — | — | CN | disclosed |
| CN-103443094-A | Pyrazole derivative | TAISHO PHARMACEUTICAL CO LTD | 2013-12-11 | — | — | CN | disclosed |