Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | FAAH | O00519 | 9/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6201382 | 0.79 | CTSS (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH | |
| SCHEMBL7342680 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH | |
| SCHEMBL7342675 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH | |
| SCHEMBL10858751 | 0.76 | ALDH1A1 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH | |
| SCHEMBL10858747 | 0.76 | ALDH1A1 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH | |
| SCHEMBL4725802 | 0.75 | POLB (0.61) | FAAHMEN1KMT2ACTSS | |
| SCHEMBL3968410 | 0.75 | MMP1 (0.42) | CYP2C9ALDH1A1SMN1; SMN2PKMCTSS | |
| SCHEMBL1821860 | 0.75 | FAAH (0.70) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH | |
| SCHEMBL7440380 | 0.75 | CYP2D6 (0.71) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH | |
| SCHEMBL7440377 | 0.75 | CYP2D6 (0.71) | CYP3A4CYP2D6CYP2C9CYP2C19FAAH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021210-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-02-21 | — | — | WO | disclosed |