Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7009541 | 0.83 | CTSB (0.50) | GAAMAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL6021248 | 0.70 | CTSS (0.62) | CTSLCTSS | |
| SCHEMBL13192483 | 0.68 | SMN1; SMN2 (0.68) | GAAMAPTSMN1; SMN2RAB9AHPGD | |
| SCHEMBL6020177 | 0.68 | CTSS (0.55) | CTSLCTSS | |
| SCHEMBL6218646 | 0.67 | CTSS (0.51) | CTSLCTSS | |
| SCHEMBL6218643 | 0.67 | CTSS (0.51) | CTSLCTSS | |
| SCHEMBL6020036 | 0.67 | CTSS (0.60) | CTSLCTSS | |
| SCHEMBL6128081 | 0.66 | CTSS (0.58) | CTSLCTSS | |
| SCHEMBL6021429 | 0.66 | CTSS (0.64) | CTSLCTSS | |
| SCHEMBL6359399 | 0.66 | SMN1; SMN2 (0.72) | GAAMAPTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1283825-A1 | N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS | Novartis AG (CH) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001087828-A1 | N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS | NOVARTIS AG (CH) | 2001-11-22 | — | — | WO | disclosed |