Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
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 | 0.87 | CTSS (0.43) | CTSSNPC1RAB9ACTSL | |
| SCHEMBL6879857 | 0.87 | CTSS (0.43) | CTSSNPC1RAB9APOLB | |
| SCHEMBL6878320 | 0.87 | CCR1 (0.40) | CTSSNPC1POLBKCNH2 | |
| SCHEMBL6879156 | 0.85 | CTSS (0.34) | CTSSNPC1RAB9ACTSL | |
| SCHEMBL6877845 | 0.83 | CTSS (0.47) | CTSSCTSL | |
| SCHEMBL6879026 | 0.83 | CTSS (0.47) | CTSSNPC1RAB9ACTSL | |
| SCHEMBL6876745 | 0.82 | SMN1; SMN2 (0.43) | CTSSNPC1RAB9ADPP4 | |
| SCHEMBL6878259 | 0.81 | CTSS (0.47) | CTSSCTSL | |
| SCHEMBL6877232 | 0.80 | METAP2 (0.47) | CTSSNPC1RAB9A | |
| SCHEMBL6879476 | 0.79 | CTSS (0.56) | CTSSCTSL |
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 |