Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 17/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19015811 | 0.93 | CTSK (0.42) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL19015875 | 0.80 | CTSK (0.45) | CYP2D6CTSK | |
| SCHEMBL19015915 | 0.78 | CYP2D6 (0.44) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL7885775 | 0.78 | CTSK (0.49) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL31449989 | 0.78 | CA1 (0.41) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL1261148 | 0.77 | CTSK (0.62) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL3498624 | 0.77 | CTSK (0.62) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL28907829 | 0.77 | CTSK (0.62) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL19015874 | 0.77 | CYP2D6 (0.48) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL19015743 | 0.77 | HDAC3 (0.39) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2288615-B1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | GENESIS TECH LTD (BB) | 2017-06-21 | — | — | EP | disclosed |
| EP-0756625-A4 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARM CORP (US) | 1999-07-28 | — | — | EP | disclosed |
| EP-0756625-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1997-02-05 | — | — | EP | disclosed |