Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 13/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | HPN | P05981 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876986 | 0.91 | CTSS (0.43) | CTSSPLAUHPNNPC1HPGD | |
| SCHEMBL6879857 | 0.91 | CTSS (0.43) | CTSSPLAUHPNNPC1HPGD | |
| SCHEMBL6878320 | 0.91 | CCR1 (0.40) | CTSSNPC1SMN1; SMN2KMT2A | |
| SCHEMBL6879156 | 0.88 | CTSS (0.34) | CTSSPLAUHPNNPC1HPGD | |
| SCHEMBL6880100 | 0.88 | CTSS (0.47) | CTSSNPC1RAB9ACTSL | |
| SCHEMBL6878825 | 0.88 | CTSS (0.46) | CTSSPLAUHPNNPC1HPGD | |
| SCHEMBL6876745 | 0.85 | SMN1; SMN2 (0.43) | CTSSNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL6877232 | 0.84 | METAP2 (0.47) | CTSSNPC1RAB9A | |
| SCHEMBL6878259 | 0.79 | CTSS (0.47) | CTSSCTSL | |
| SCHEMBL6877907 | 0.78 | CTSS (0.49) | CTSSNPC1RAB9ASMN1; SMN2KMT2A |
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-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |