Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 3/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6170110 | 0.88 | LMNA (0.53) | XDHAGTR1TP53AGTR2LMNA | |
| SCHEMBL6169640 | 0.77 | AR (0.42) | — | |
| SCHEMBL6168750 | 0.76 | LMNA (0.46) | AKR1C3LMNA | |
| SCHEMBL6167006 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL6168074 | 0.74 | RHEB (0.39) | — | |
| SCHEMBL6170184 | 0.72 | MMP13 (0.47) | XDHAGTR1TP53AGTR2 | |
| SCHEMBL1249470 | 0.71 | XDH (0.69) | XDHTP53 | |
| SCHEMBL2722964 | 0.69 | MEN1 (0.49) | — | |
| SCHEMBL12203130 | 0.69 | XDH (0.66) | XDHTP53 | |
| SCHEMBL4102175 | 0.67 | PLA2G4A (0.53) | XDHAGTR1AGTR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1530472-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | claimed |
| WO-2004014379-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | claimed |
| EP-1530472-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004014379-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |