Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 16/20 | 0.49 |
| ▸ | CTSL | P07711 | 14/20 | 0.49 |
| ▸ | CTSK | P43235 | 6/20 | 0.49 |
| ▸ | CTSB | P07858 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565450 | 0.86 | CTSS (0.47) | CTSSCTSLCTSKCTSBMAPT | |
| SCHEMBL7435912 | 0.79 | CTSS (0.45) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3897192 | 0.78 | CTSS (0.58) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6565478 | 0.75 | CTSS (0.59) | CTSSCTSLCTSKCTSB | |
| SCHEMBL6567031 | 0.74 | CTSS (0.45) | CTSSCTSLCTSKCTSBRAB9A | |
| SCHEMBL3909374 | 0.73 | CTSS (0.42) | CTSSCTSLCTSKCTSBSMN1; SMN2 | |
| SCHEMBL3907528 | 0.73 | CTSS (0.51) | CTSSCTSLCTSKCTSB | |
| SCHEMBL3028847 | 0.71 | CTSS (0.58) | CTSSCTSLCTSKCTSB | |
| SCHEMBL4432278 | 0.70 | MGLL (0.65) | SMN1; SMN2GAARAB9ACYP1A2ALDH1A1 | |
| SCHEMBL30207797 | 0.70 | MGLL (0.65) | SMN1; SMN2GAARAB9ACYP1A2ALDH1A1 |
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-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |