Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 9/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6687345 | 0.95 | CTSS (0.45) | CTSSNPC1RAB9ASMN1; SMN2CTSL | |
| SCHEMBL6689425 | 0.90 | HDAC8 (0.42) | CTSSNPC1RAB9ASMN1; SMN2CTSL | |
| SCHEMBL6693415 | 0.89 | MEN1 (0.41) | CTSSNPC1RAB9ASMN1; SMN2CTSL | |
| SCHEMBL6690556 | 0.88 | CTSS (0.43) | CTSSNPC1RAB9ASMN1; SMN2CTSL | |
| SCHEMBL6691059 | 0.87 | ALDH1A1 (0.41) | CTSSNPC1RAB9ASMN1; SMN2CTSL | |
| SCHEMBL6687213 | 0.86 | RAB9A (0.41) | CTSSNPC1RAB9ASMN1; SMN2CTSL | |
| SCHEMBL6690013 | 0.84 | CCR3 (0.40) | CTSSCTSLCTSKCCR3MEN1 | |
| SCHEMBL6691040 | 0.80 | CTSS (0.44) | CTSSCTSLCTSKDRD4CCR3 | |
| SCHEMBL6698515 | 0.79 | DRD4 (0.39) | CTSSNPC1RAB9ASMN1; SMN2CTSL | |
| SCHEMBL6693429 | 0.79 | DRD4 (0.39) | CTSSNPC1RAB9ASMN1; SMN2CTSL |
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-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |