Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 3/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8557198 | 0.82 | CA1 (0.49) | CA12CA1CA2MAPTCA9 | |
| SCHEMBL382142 | 0.82 | SMN1; SMN2 (0.44) | CA12CA1CA2MAPTCA9 | |
| SCHEMBL7651608 | 0.82 | SMN1; SMN2 (0.44) | CA12CA1CA2MAPTCA9 | |
| SCHEMBL7372099 | 0.81 | NPC1 (0.45) | CA12CA1CA2MAPTCA9 | |
| SCHEMBL7372959 | 0.81 | ALDH1A1 (0.45) | CA12CA1CA2CA9SLC1A3 | |
| SCHEMBL9094518 | 0.81 | CA2 (0.41) | CA12CA1CA2CA9SLC1A3 | |
| Hydrochloric Acid SCHEMBL382912 | 0.80 | SMN1; SMN2 (0.43) | CA12CA1CA2CA9HSD11B1 | |
| SCHEMBL7378971 | 0.77 | MMP13 (0.49) | CA1CA2MMP1KEAP1NFE2L2 | |
| SCHEMBL7452279 | 0.77 | CYP2C9 (0.42) | KIF11CA12CA1CA2MAPT | |
| SCHEMBL7375167 | 0.76 | CA2 (0.50) | CA12CA1CA2CA9CNR2 |
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-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | claimed |
| WO-1996038426-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-05 | — | — | WO | claimed |