Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704930 | 0.87 | SMYD3 (0.38) | SMYD3IDO1PARP1HTR1AHTR7 | |
| SCHEMBL7708204 | 0.85 | IDO1 (0.39) | SMYD3IDO1PARP1HTR1AHTR7 | |
| SCHEMBL7093745 | 0.81 | KDM4E (0.34) | SMYD3IDO1 | |
| SCHEMBL7094224 | 0.77 | ALDH1A1 (0.34) | IDO1 | |
| SCHEMBL7705017 | 0.74 | ALDH1A1 (0.34) | IDO1 | |
| SCHEMBL7704636 | 0.72 | IDO1 (0.31) | IDO1 | |
| SCHEMBL7089999 | 0.70 | KDM4E (0.37) | SMYD3IDO1PARP1 | |
| SCHEMBL7711126 | 0.69 | PARP1 (0.45) | SMYD3IDO1PARP1HTR1AHTR7 | |
| SCHEMBL7713374 | 0.68 | PARP1 (0.50) | IDO1PARP1 | |
| SCHEMBL6998045 | 0.68 | PARP1 (0.38) | SMYD3PARP1HTR1AHTR7 |
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 |