Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 8/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7167204 | 1.00 | CA1 (0.53) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL6487911 | 0.87 | CA1 (0.55) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL6490683 | 0.87 | CA1 (0.55) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL5170605 | 0.87 | CA1 (0.55) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL14357346 | 0.82 | CYP2D6 (0.51) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL15627226 | 0.82 | CYP2D6 (0.51) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL16885191 | 0.82 | CYP2D6 (0.51) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL17026388 | 0.82 | CYP2D6 (0.51) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL8225301 | 0.81 | CTSS (0.53) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL12920120 | 0.81 | CTSS (0.53) | CA1CA2CA7CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-6573388-B1 | Synthetic intermediates for the synthesis of HIV protease inhibitors and oligopeptide mimetics | SAMCHULLY PHARM. CO., LTD. (KR) | 2003-06-03 | — | — | US | disclosed |