Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KLK7 | P49862 | 4/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 4/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7298371 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL7376978 | 0.85 | FOLH1 (0.34) | — | |
| SCHEMBL7373003 | 0.85 | RAB9A (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL5093810 | 0.85 | RAB9A (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL7405620 | 0.79 | RAB9A (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL7405615 | 0.79 | RAB9A (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL9327794 | 0.76 | RAB9A (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL7412500 | 0.74 | CTSK (0.36) | CYP3A4 | |
| SCHEMBL9010635 | 0.73 | RAB9A (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL7305196 | 0.72 | MBOAT4 (0.46) | CYP3A4 |
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-0575844-B1 | Hydroxamic acid derivatives and pharmaceutical compositions thereof | HOFFMANN LA ROCHE (CH) | 1998-01-21 | — | — | EP | disclosed |
| EP-0575844-A2 | Hydroxamic acid derivatives and pharmaceutical compositions thereof | F. HOFFMANN-LA ROCHE AG (CH) | 1993-12-29 | — | — | EP | disclosed |