Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 8/20 | 0.44 |
| ▸ | CTSS | P25774 | 5/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16970604 | 1.00 | CA1 (0.56) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL272148 | 1.00 | CA1 (0.56) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL68450 | 0.88 | CA1 (0.67) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL68451 | 0.88 | CA1 (0.67) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL969077 | 0.88 | CA1 (0.67) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL168390 | 0.85 | CA1 (0.54) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL16970732 | 0.85 | CA1 (0.54) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL2987820 | 0.83 | CA1 (0.53) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL14265317 | 0.83 | CA1 (0.53) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL385451 | 0.83 | CA1 (0.53) | CA1CA2CA7CYP2D6CTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5480893-A | ANTITUMOR | MERCK & CO., INC. (US) | 1996-01-02 | — | — | US | disclosed |
| US-5340828-A | Anticarcinogenic agents | MERCK & CO., INC. (US) | 1994-08-23 | — | — | US | disclosed |
| EP-0535730-A2 | Inhibitors of farnesyl protein transferase | MERCK & CO. INC. (US) | 1993-04-07 | — | — | EP | disclosed |