Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 9/20 | 0.69 |
| ▸ | MMP13 | P45452 | 1/20 | 0.69 |
| ▸ | MMP2 | P08253 | 4/20 | 0.67 |
| ▸ | MMP12 | P39900 | 2/20 | 0.67 |
| ▸ | MMP3 | P08254 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL6321457 | 0.88 | ADAM17 (0.74) | ADAM17MMP13MMP2MMP12MMP3 | |
| SCHEMBL6325479 | 0.85 | ADAM17 (0.61) | ADAM17MMP13MMP2MMP12MMP3 | |
| SCHEMBL6319917 | 0.82 | ADAM17 (0.71) | ADAM17MMP13MMP2MMP12MMP3 | |
| SCHEMBL6321024 | 0.82 | ADAM17 (1.00) | ADAM17MMP13MMP2 | |
| SCHEMBL6322236 | 0.81 | ADAM17 (0.68) | ADAM17MMP13MMP2MMP12MMP3 | |
| SCHEMBL3962733 | 0.80 | MMP2 (1.00) | ADAM17MMP2MMP12MMP3 | |
| Trifluoroacetic Acid SCHEMBL6318681 | 0.80 | MMP2 (0.62) | ADAM17MMP13MMP2MMP12MMP3 | |
| SCHEMBL6318457 | 0.79 | MMP2 (0.61) | ADAM17MMP13MMP2MMP12MMP3 | |
| SCHEMBL6319249 | 0.79 | ADAM17 (0.68) | ADAM17MMP13MMP2 | |
| SCHEMBL5887571 | 0.78 | ADAM17 (0.58) | ADAM17MMP13MMP2MMP12MMP3 |
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-6936620-B2 | Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases | BRISTOL MYERS SQUIBB COMPANY (US) | 2005-08-30 | — | — | US | claimed |