Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.39 |
| ▸ | CTSK | P43235 | 8/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6674299 | 1.00 | AAK1 (0.39) | AAK1CTSKCTSLCTSBCTSS | |
| SCHEMBL7385821 | 1.00 | AAK1 (0.39) | AAK1CTSKCTSLCTSBCTSS | |
| SCHEMBL23279475 | 0.86 | CTSK (0.31) | AAK1CTSK | |
| SCHEMBL20031069 | 0.83 | CTSK (0.35) | AAK1CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL16281194 | 0.81 | CTSK (0.35) | AAK1CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL12829294 | 0.80 | HDAC6 (0.38) | AAK1CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL13996127 | 0.79 | AAK1 (0.42) | AAK1CTSKCTSLCTSBCTSS | |
| SCHEMBL26027926 | 0.79 | CTSK (0.38) | CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL6673921 | 0.79 | CTSK (0.35) | AAK1CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL6673516 | 0.78 | AAK1 (0.35) | AAK1CTSKCTSLCTSBCTSS |
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-6458781-B1 | BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS | WARNER-LAMBERT COMPANY | 2002-10-01 | — | — | US | disclosed |