Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 11/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | CCKAR | P32238 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 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 | |
|---|---|---|---|---|
| SCHEMBL7095873 | 0.91 | CTSS (0.42) | CTSSCTSKSCN9AIDO1PTPN1 | |
| SCHEMBL7708055 | 0.90 | PARP1 (0.41) | SCN9APARP1IDO1SMYD3KDM4E | |
| SCHEMBL7713374 | 0.88 | PARP1 (0.50) | CTSSCTSKPARP1IDO1ALDH1A1 | |
| SCHEMBL7710779 | 0.87 | TP53 (0.40) | PARP1IDO1SMYD3KDM4EALDH1A1 | |
| SCHEMBL7704807 | 0.87 | HSD17B10 (0.42) | SCN9APARP1IDO1SMYD3 | |
| SCHEMBL7708144 | 0.86 | PARP1 (0.42) | CTSSCTSKSCN9APARP1IDO1 | |
| SCHEMBL7713251 | 0.85 | CTSS (0.45) | CTSSCTSKSCN9APARP1IDO1 | |
| SCHEMBL7708210 | 0.84 | MC4R (0.41) | PARP1IDO1SMYD3KDM4EALDH1A1 | |
| SCHEMBL7713294 | 0.83 | PARP1 (0.42) | PARP1IDO1SMYD3ALDH1A1CCKAR | |
| SCHEMBL7713338 | 0.82 | PARP1 (0.42) | PARP1IDO1SMYD3ALDH1A1CCKAR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |