Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CCKAR | P32238 | 1/20 | 0.33 |
| ▸ | CCKBR | P32239 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711126 | 0.89 | PARP1 (0.45) | KDM4EALDH1A1RCE1IDO1CTSK | |
| SCHEMBL7704943 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CTSKCTSSMAPTHPGD | |
| SCHEMBL7089999 | 0.82 | KDM4E (0.37) | KDM4EALDH1A1RCE1IDO1CTSK | |
| SCHEMBL7087735 | 0.79 | MC4R (0.36) | KDM4EALDH1A1RCE1IDO1CTSK | |
| SCHEMBL7095873 | 0.79 | CTSS (0.42) | KDM4EALDH1A1RCE1IDO1CTSK | |
| SCHEMBL7093745 | 0.78 | KDM4E (0.34) | KDM4EALDH1A1RCE1IDO1CTSK | |
| SCHEMBL6304809 | 0.78 | MAPT (0.39) | KDM4EALDH1A1RCE1MAPTPLA2G1B | |
| SCHEMBL7095640 | 0.78 | ALDH1A1 (0.37) | KDM4EALDH1A1RCE1MAPTPLA2G1B | |
| SCHEMBL5472786 | 0.77 | MAPT (0.41) | KDM4EALDH1A1RCE1IDO1CTSK | |
| SCHEMBL7092472 | 0.77 | HSD17B10 (0.37) | ALDH1A1MAPTHPGDXBP1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |