Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 2/20 | 0.63 |
| ▸ | CA7 | P43166 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 10/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | APLNR | P35414 | 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 | |
|---|---|---|---|---|
| SCHEMBL19867931 | 0.84 | CA1 (0.52) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL19867930 | 0.84 | CA1 (0.52) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL7356326 | 0.83 | CA1 (0.67) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL5477507 | 0.83 | CA1 (0.49) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL969077 | 0.83 | CA1 (0.67) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL68451 | 0.83 | CA1 (0.67) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL68450 | 0.83 | CA1 (0.67) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL20207292 | 0.83 | CA1 (0.49) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL21342491 | 0.83 | CA1 (0.49) | CA1CA2CA7CYP2D6CA4 | |
| SCHEMBL17724546 | 0.81 | CA2 (0.65) | CA1CA2CA7CYP2D6CA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015157594-A1 | TUBULYSIN DERIVATIVES | MEDIMMUNE LLC (US) | 2015-10-15 | — | — | WO | disclosed |