Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 10/20 | 0.49 |
| ▸ | MMP9 | P14780 | 9/20 | 0.49 |
| ▸ | MMP1 | P03956 | 9/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.44 |
| ▸ | LOX | P28300 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2761358 | 0.84 | HTT (0.55) | MMP13MMP9MMP1HTTNPSR1 | |
| SCHEMBL7372959 | 0.83 | ALDH1A1 (0.45) | MMP13MMP9MMP1KEAP1NFE2L2 | |
| SCHEMBL7651608 | 0.80 | SMN1; SMN2 (0.44) | LOXCA1CA2 | |
| SCHEMBL382142 | 0.80 | SMN1; SMN2 (0.44) | LOXCA1CA2 | |
| SCHEMBL7372099 | 0.80 | NPC1 (0.45) | MMP13MMP9MMP1MMP2F2 | |
| SCHEMBL9094518 | 0.80 | CA2 (0.41) | MMP13MMP9MMP1MMP2MMP3 | |
| Hydrochloric Acid SCHEMBL382912 | 0.79 | SMN1; SMN2 (0.43) | LOXCA1CA2 | |
| SCHEMBL7452279 | 0.79 | CYP2C9 (0.42) | CA1CA2GAAALDH1A1 | |
| SCHEMBL7899733 | 0.78 | MMP13 (0.43) | MMP13MMP9MMP1HTTNPSR1 | |
| SCHEMBL7375167 | 0.78 | CA2 (0.50) | CA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | claimed |