Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 9/20 | 0.45 |
| ▸ | CTSB | P07858 | 8/20 | 0.45 |
| ▸ | CTSK | P43235 | 7/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4573200 | 0.89 | CTSK (0.57) | CTSSCTSBCTSKHRH3KCNH2 | |
| SCHEMBL4589748 | 0.86 | CTSB (0.54) | CTSSCTSBCTSKHRH3KCNH2 | |
| SCHEMBL4586118 | 0.79 | CTSB (0.42) | CTSSCTSBCTSKKCNH2 | |
| SCHEMBL4573253 | 0.79 | CTSK (0.39) | CTSSCTSBCTSKKCNH2KMT2A | |
| SCHEMBL4573015 | 0.78 | CTSK (0.38) | CTSSCTSBCTSKHRH3KCNH2 | |
| SCHEMBL4573939 | 0.77 | SLC6A9 (0.48) | CTSSCTSBCTSKKCNH2 | |
| SCHEMBL4573119 | 0.76 | SLC6A9 (0.40) | CTSSCTSBCTSKKCNH2KMT2A | |
| SCHEMBL4789865 | 0.74 | KEAP1 (0.51) | CTSSCTSBCTSKTSHRALDH1A1 | |
| SCHEMBL4584329 | 0.73 | HRH3 (0.40) | HRH3KCNH2 | |
| SCHEMBL4790305 | 0.71 | USP30 (0.41) | CTSSCTSBCTSKKMT2ATSHR |
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 |