Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 13/20 | 0.39 |
| ▸ | MMP9 | P14780 | 13/20 | 0.39 |
| ▸ | MMP3 | P08254 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18818961 | 0.78 | NPSR1 (0.33) | NPSR1 | |
| SCHEMBL3118096 | 0.75 | CYP3A4 (0.47) | MMP2MMP9MMP3MMP13 | |
| SCHEMBL13074070 | 0.75 | MMP2 (0.36) | MMP2MMP9MMP3MMP13 | |
| SCHEMBL27068395 | 0.65 | BRD4 (0.32) | NPSR1 | |
| SCHEMBL3594967 | 0.65 | — | — | |
| SCHEMBL8565574 | 0.64 | — | — | |
| SCHEMBL23897743 | 0.61 | — | — | |
| SCHEMBL16607543 | 0.61 | ALDH1A1 (0.47) | NPSR1 | |
| SCHEMBL29908520 | 0.61 | — | — | |
| SCHEMBL41953 | 0.61 | ALDH1A1 (0.47) | NPSR1 |
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-2008045668-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-04-17 | — | — | WO | disclosed |