Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 18/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.43 |
| ▸ | MMP3 | P08254 | 2/20 | 0.43 |
| ▸ | MMP7 | P09237 | 2/20 | 0.43 |
| ▸ | ADAMTS1 | Q9UHI8 | 2/20 | 0.43 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6594265 | 0.82 | ADAM17 (0.73) | ADAM17MMP13MMP2MMP9 | |
| SCHEMBL27586308 | 0.80 | ADAM17 (0.58) | ADAM17MMP13ADAMTS4MMP3MMP7 | |
| SCHEMBL27566900 | 0.76 | ADAM17 (0.58) | ADAM17MMP13ADAMTS4MMP3MMP7 | |
| SCHEMBL27566855 | 0.75 | ADAM17 (0.52) | ADAM17MMP13ADAMTS4MMP3MMP7 | |
| SCHEMBL6596966 | 0.74 | ADAM17 (0.71) | ADAM17MMP13ADAMTS4MMP3MMP7 | |
| SCHEMBL6596235 | 0.73 | ADAM17 (0.64) | ADAM17MMP13MMP2MMP9 | |
| SCHEMBL6597542 | 0.73 | ADAM17 (0.71) | ADAM17MMP13ADAMTS4MMP3MMP7 | |
| SCHEMBL6595325 | 0.71 | ADAM17 (0.74) | ADAM17MMP13MMP2 | |
| SCHEMBL6597835 | 0.70 | ADAM17 (0.67) | ADAM17MMP13ADAMTS4MMP3MMP7 | |
| Trifluoroacetic Acid SCHEMBL6597061 | 0.69 | ADAM17 (0.66) | ADAM17MMP13ADAMTS4MMP3MMP7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1420881-A | Beta-amino acid derivs. as inhibitors of matrix metalloproteases and TNF-alpha | BRISTOL MYERS SQUIBB PHARMACEU (US) | 2003-05-28 | — | — | CN | claimed |
| CN-1420881-A | Beta-amino acid derivs. as inhibitors of matrix metalloproteases and TNF-alpha | BRISTOL MYERS SQUIBB PHARMACEU (US) | 2003-05-28 | — | — | CN | disclosed |