Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 17/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL16827590 | 0.88 | CTSK (0.48) | CTSKCTSSCYP2D6 | |
| SCHEMBL19014943 | 0.88 | CTSK (0.48) | CTSKCTSSCYP2D6 | |
| SCHEMBL15905906 | 0.88 | CTSK (0.48) | CTSKCTSSCYP2D6 | |
| SCHEMBL19430414 | 0.83 | CTSK (0.47) | CTSKCTSS | |
| SCHEMBL17537273 | 0.83 | CTSK (0.44) | CTSKCTSSCYP2D6 | |
| SCHEMBL3679645 | 0.82 | CYP2D6 (0.54) | CTSKCTSSCYP2D6 | |
| SCHEMBL3679648 | 0.82 | CYP2D6 (0.54) | CTSKCTSSCYP2D6 | |
| SCHEMBL16970605 | 0.82 | CYP2D6 (0.54) | CTSKCTSSCYP2D6 | |
| SCHEMBL8972545 | 0.82 | CTSK (0.50) | CTSKCTSSCYP2D6 | |
| SCHEMBL19014947 | 0.81 | CTSK (0.43) | CTSKCTSSCYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008040995-A9 | INDAZOLES FOR USE AS DPP-IV INHIBITORS | PEAKDALE MOLECULAR LTD (GB) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008040995-A1 | INDAZOLES FOR USE AS DPP-IV INHIBITORS | PEAKDALE MOLECULAR LIMITED (GB) | 2008-04-10 | — | — | WO | disclosed |