Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29697261 | 0.87 | CYP17A1 (0.44) | CYP17A1CA12CA1CA2CA9 | |
| SCHEMBL22990771 | 0.87 | CYP17A1 (0.44) | CYP17A1CA12CA1CA2CA9 | |
| SCHEMBL29840249 | 0.83 | AAK1 (0.46) | AAK1CYP17A1CA12CA1CA2 | |
| SCHEMBL3568182 | 0.83 | AAK1 (0.40) | AAK1CYP17A1CA12CA1CA2 | |
| SCHEMBL29236468 | 0.83 | CYP17A1 (0.42) | AAK1CYP17A1CA12CA1CA2 | |
| SCHEMBL30947444 | 0.83 | CYP17A1 (0.42) | AAK1CYP17A1CA12CA1CA2 | |
| SCHEMBL27214502 | 0.82 | CA12 (0.42) | AAK1CA12CA1CA2CA9 | |
| SCHEMBL2294920 | 0.82 | ATR (0.40) | CYP17A1CA12CA1CA2CA9 | |
| SCHEMBL15834220 | 0.82 | ALDH1A1 (0.45) | AAK1MEN1KMT2A | |
| SCHEMBL31736070 | 0.81 | AAK1 (0.52) | AAK1CYP17A1RXFP1HTTKCNQ4 |
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-1896396-A1 | ANTHRANILIC ACID DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006134040-A1 | ANTHRANILIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-12-21 | — | — | WO | disclosed |