Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 3/20 | 0.47 |
| ▸ | METAP1 | P53582 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 4/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878320 | 0.89 | CCR1 (0.40) | CTSSNPC1 | |
| SCHEMBL6878134 | 0.86 | CTSS (0.49) | CTSSNPC1RAB9A | |
| SCHEMBL6879857 | 0.83 | CTSS (0.43) | METAP2CTSSNPC1RAB9A | |
| SCHEMBL6879156 | 0.80 | CTSS (0.34) | CTSSNPC1RAB9A | |
| SCHEMBL6880100 | 0.80 | CTSS (0.47) | CTSSNPC1RAB9A | |
| SCHEMBL6878825 | 0.80 | CTSS (0.46) | CTSSNPC1RAB9A | |
| SCHEMBL6879026 | 0.78 | CTSS (0.47) | CTSSNPC1RAB9A | |
| SCHEMBL6877907 | 0.78 | CTSS (0.49) | CTSSNPC1RAB9A | |
| SCHEMBL6877845 | 0.78 | CTSS (0.47) | CTSS | |
| SCHEMBL6876745 | 0.78 | SMN1; SMN2 (0.43) | CTSSNPC1RAB9A |
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 |