Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL28099478 | 1.00 | AAK1 (0.48) | AAK1TRPA1KMT2AAPPCTSK | |
| SCHEMBL17041316 | 1.00 | AAK1 (0.48) | AAK1TRPA1KMT2AAPPCTSK | |
| SCHEMBL18862532 | 0.91 | AAK1 (0.42) | AAK1TRPA1KMT2AAPPCTSK | |
| SCHEMBL17040780 | 0.90 | AAK1 (0.43) | AAK1TRPA1KMT2ACTSK | |
| SCHEMBL14831152 | 0.85 | AAK1 (0.48) | AAK1TRPA1KMT2AAPPCTSK | |
| SCHEMBL14831153 | 0.85 | AAK1 (0.48) | AAK1TRPA1KMT2AAPPCTSK | |
| SCHEMBL24861764 | 0.84 | CTSK (0.41) | AAK1TRPA1KMT2AAPPCTSK | |
| SCHEMBL28709417 | 0.84 | CTSK (0.41) | AAK1TRPA1KMT2AAPPCTSK | |
| SCHEMBL17041585 | 0.83 | KMT2A (0.43) | AAK1TRPA1KMT2ACTSKTSHR | |
| SCHEMBL12791268 | 0.83 | KMT2A (0.43) | AAK1TRPA1KMT2ACTSKTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105980361-A | Derivatives of 5-benzylisoquinoline for the treatment of cardiovascular diseases | 法国施维雅药厂 | 2016-09-28 | — | — | CN | disclosed |