Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 12/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
| ▸ | P4HB | P07237 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7708086 | 0.91 | CTSS (0.43) | CTSSCTSKSCN9APTPN1ALDH1A1 | |
| SCHEMBL7087735 | 0.90 | MC4R (0.36) | CTSKSCN9AALDH1A1KDM4ERCE1 | |
| SCHEMBL7704943 | 0.88 | ALDH1A1 (0.43) | CTSSCTSKALDH1A1MAPTHPGD | |
| SCHEMBL7091085 | 0.87 | NPSR1 (0.35) | CTSSCTSKALDH1A1KDM4ERCE1 | |
| SCHEMBL7094067 | 0.87 | HPGD (0.41) | CTSSCTSKSCN9AALDH1A1KDM4E | |
| SCHEMBL7087725 | 0.86 | CTSS (0.41) | CTSSCTSKSCN9AALDH1A1MAPT | |
| SCHEMBL7090483 | 0.86 | CTSS (0.45) | CTSSCTSKSCN9AALDH1A1KDM4E | |
| SCHEMBL7093383 | 0.84 | MC4R (0.41) | ALDH1A1KDM4ERCE1MAPTHPGD | |
| SCHEMBL7095640 | 0.83 | ALDH1A1 (0.37) | ALDH1A1KDM4ERCE1MAPTHPGD | |
| SCHEMBL7092472 | 0.83 | HSD17B10 (0.37) | ALDH1A1MAPTHPGDHTTNPSR1 |
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 |