Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Valine SCHEMBL8429982 | 0.79 | CA2 (0.49) | CA2ALDH1A1KIF11SMN1; SMN2LMNA | |
| SCHEMBL8861382 | 0.78 | CA12 (0.55) | CA2SMN1; SMN2LMNACA1MMP2 | |
| SCHEMBL7372085 | 0.78 | CA12 (0.55) | CA2SMN1; SMN2LMNACA1MMP2 | |
| SCHEMBL382144 | 0.77 | SLC1A2 (0.54) | CA2ALDH1A1SMN1; SMN2LMNACA1 | |
| SCHEMBL7651611 | 0.77 | SLC1A2 (0.54) | CA2ALDH1A1SMN1; SMN2LMNACA1 | |
| SCHEMBL7452284 | 0.76 | CA12 (0.45) | CA2ALDH1A1LMNACA1MMP2 | |
| SCHEMBL8861438 | 0.76 | SLC1A2 (0.41) | CA2CA1MMP2MMP9CA12 | |
| SCHEMBL9094528 | 0.76 | SLC1A3 (0.58) | CA2CA1MMP2MMP9CA14 | |
| SCHEMBL8861442 | 0.76 | SLC1A2 (0.41) | CA2CA1MMP2MMP9CA12 | |
| SCHEMBL7372101 | 0.76 | SLC1A3 (0.58) | CA2ALDH1A1CA1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0730590-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | claimed |
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | claimed |