Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.68 |
| ▸ | CTSB | P07858 | 9/20 | 0.60 |
| ▸ | CTSS | P25774 | 9/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8110520 | 0.84 | CTSK (0.64) | CTSKCTSBCTSSADAM10ERBB2 | |
| SCHEMBL8110058 | 0.77 | CTSK (0.56) | CTSKCTSBCTSSADAM10ERBB2 | |
| SCHEMBL8107799 | 0.74 | CTSK (0.55) | CTSKCTSBCTSS | |
| SCHEMBL8107396 | 0.74 | CTSK (1.00) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL8099434 | 0.74 | CTSK (0.54) | CTSKCTSBCTSS | |
| SCHEMBL3109916 | 0.72 | KMT2A (0.61) | CTSKKMT2AMEN1SMN1; SMN2CA12 | |
| SCHEMBL3103835 | 0.72 | KMT2A (0.61) | CTSKKMT2AMEN1SMN1; SMN2CA12 | |
| SCHEMBL8108928 | 0.72 | CTSK (0.52) | CTSKCTSBCTSSFFAR4 | |
| SCHEMBL8110145 | 0.72 | HRH3 (0.50) | CTSKCTSBCTSSKMT2AMEN1 | |
| SCHEMBL8113972 | 0.72 | CTSK (0.48) | CTSKCTSBCTSS |
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-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |