Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 16/20 | 0.47 |
| ▸ | CTSK | P43235 | 16/20 | 0.47 |
| ▸ | CTSS | P25774 | 14/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP7 | P09237 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.47 |
| ▸ | ADAM33 | Q9BZ11 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8110145 | 0.73 | HRH3 (0.50) | CTSBCTSKCTSSKCNH2POLB | |
| SCHEMBL8099548 | 0.71 | CTSK (0.68) | CTSBCTSKCTSSCYP3A4CYP2C9 | |
| SCHEMBL8110058 | 0.70 | CTSK (0.56) | CTSBCTSKCTSSCYP3A4CYP2C9 | |
| SCHEMBL8098986 | 0.70 | CTSK (0.49) | CTSBCTSKCTSSCYP3A4CYP2C9 | |
| SCHEMBL8110520 | 0.69 | CTSK (0.64) | CTSBCTSKCTSSADAM10MMP2 | |
| SCHEMBL8114182 | 0.68 | CTSB (0.77) | CTSBCTSKCTSSCYP3A4CYP2C9 | |
| SCHEMBL8106040 | 0.67 | CTSB (0.74) | CTSBCTSKCTSSCYP3A4CYP2C9 | |
| SCHEMBL8106264 | 0.66 | CTSB (0.75) | CTSBCTSKCTSSCYP3A4CYP2C9 | |
| SCHEMBL14376005 | 0.65 | GAA (0.53) | CTSSKDM4EALDH1A1MAPT | |
| SCHEMBL14376249 | 0.64 | MAP4K4 (0.50) | KDM4EPOLBALDH1A1MAPTHSD11B1 |
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 |