Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 9/20 | 0.70 |
| ▸ | MMP13 | P45452 | 9/20 | 0.70 |
| ▸ | MMP1 | P03956 | 8/20 | 0.70 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6930481 | 0.97 | MMP13 (0.74) | MMP9MMP13MMP1ADAM17HTT | |
| Hydroxyamine SCHEMBL8229937 | 0.88 | MMP13 (0.60) | MMP9MMP13MMP1ADAM17HTT | |
| SCHEMBL8223970 | 0.85 | MMP13 (0.62) | MMP9MMP13MMP1ADAM17HTT | |
| SCHEMBL6928954 | 0.83 | MMP13 (1.00) | MMP9MMP13MMP1ADAM17 | |
| SCHEMBL6932341 | 0.82 | MMP13 (0.74) | MMP9MMP13MMP1ADAM17HTT | |
| Hydroxyamine SCHEMBL7685608 | 0.82 | MMP9 (0.55) | MMP9MMP13MMP1ADAM17HTT | |
| SCHEMBL6931611 | 0.82 | MMP9 (0.67) | MMP9MMP13MMP1ADAM17HTT | |
| SCHEMBL7622218 | 0.79 | MMP13 (0.57) | MMP9MMP13MMP1ADAM17HTT | |
| SCHEMBL8229938 | 0.78 | MMP1 (0.58) | MMP9MMP13MMP1ADAM17ALDH1A1 | |
| SCHEMBL8227693 | 0.75 | MMP13 (0.79) | MMP9MMP13MMP1ADAM17 |
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-6331563-B1 | LOW MOLECULAR WEIGHT, NON-PEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME; TREATING ARTHRITIS, TUMOR METASTASIS, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, INSULIN RESISTANCE | WYETH HOLDINGS CORPORATION | 2001-12-18 | — | — | US | disclosed |