Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 2/20 | 0.51 |
| ▸ | MMP3 | P08254 | 1/20 | 0.51 |
| ▸ | ADAMTS5 | Q9UNA0 | 7/20 | 0.50 |
| ▸ | NAT1 | P18440 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8190447 | 1.00 | IDH1 (0.53) | IDH1MMP13MMP3ADAMTS5NAT1 | |
| SCHEMBL8173395 | 0.86 | MMP13 (0.68) | IDH1MMP13MMP3ADAMTS5NAT1 | |
| SCHEMBL8173392 | 0.86 | MMP13 (0.68) | IDH1MMP13MMP3ADAMTS5NAT1 | |
| SCHEMBL8172438 | 0.83 | PDE4B (0.51) | GSK3B | |
| SCHEMBL8172439 | 0.83 | PDE4B (0.51) | GSK3B | |
| SCHEMBL8172035 | 0.77 | AKR1B1 (0.52) | MMP13MMP3NAT1GSK3B | |
| SCHEMBL8181146 | 0.75 | PIM1 (0.71) | MMP13MMP3NAT1 | |
| SCHEMBL8172583 | 0.72 | HPGD (0.50) | — | |
| SCHEMBL8172585 | 0.72 | HPGD (0.50) | — | |
| SCHEMBL8171935 | 0.72 | NAT1 (0.63) | MMP13MMP3NAT1GSK3B |
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-2000018748-A1 | RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS | ROCHE DIAGNOSTICS GMBH (DE) | 2000-04-06 | — | — | WO | disclosed |