Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.48 |
| ▸ | CLK1 | P49759 | 4/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CLK2 | P49760 | 1/20 | 0.48 |
| ▸ | CLK3 | P49761 | 1/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7461061 | 0.82 | ALDH1A1 (0.56) | KDM4EALDH1A1MAPTGAACYP1A2 | |
| SCHEMBL8910746 | 0.82 | MAPT (0.62) | ALDH1A1MAPTCYP1A2CYP3A4HPGD | |
| SCHEMBL9664209 | 0.78 | HPGD (0.59) | KDM4EALDH1A1MAPTGAACYP1A2 | |
| SCHEMBL28762628 | 0.73 | CYP3A4 (0.64) | ALDH1A1MAPTGAACYP1A2CYP3A4 | |
| SCHEMBL7383494 | 0.73 | IDO1 (0.48) | CYP1A2CYP3A4CYP2D6CYP1A1CYP1B1 | |
| SCHEMBL8726941 | 0.72 | LTA4H (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| Aminothiazole SCHEMBL28843713 | 0.72 | ALDH1A1 (0.49) | KDM4EALDH1A1MAPTGAACYP1A2 | |
| SCHEMBL25226114 | 0.71 | HPGD (0.68) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL6286095 | 0.71 | CTNNB1 (0.60) | KDM4EALDH1A1MAPTGAACYP1A2 | |
| SCHEMBL7457319 | 0.71 | KDM4E (0.54) | KDM4EALDH1A1MAPTGAACYP1A2 |
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-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |