Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 8/20 | 0.46 |
| ▸ | JAK3 | P52333 | 8/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | JAK1 | P23458 | 3/20 | 0.41 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CIT | O14578 | 1/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | OPA1 | O60313 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | STK16 | O75716 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MARK3 | P27448 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6181785 | 0.91 | JAK2 (0.38) | JAK2JAK3CYP2D6ADORA2ALMNA | |
| SCHEMBL6182218 | 0.81 | CTSL (0.50) | JAK2JAK3LMNAGAACTSL | |
| SCHEMBL6183920 | 0.78 | NPC1 (0.45) | LMNAGAAKMT2AMEN1 | |
| SCHEMBL6183700 | 0.77 | CTSL (0.53) | JAK2JAK3LMNAJAK1BMPR1B | |
| SCHEMBL6183061 | 0.77 | CD274 (0.49) | CYP2D6ADORA2ACTSLCTSBCTSS | |
| SCHEMBL6182156 | 0.77 | NAMPT (0.51) | CYP2D6ADORA2AHDAC1CD274 | |
| SCHEMBL6185113 | 0.76 | POLB (0.42) | JAK2JAK3CYP2D6ADORA2ALMNA | |
| SCHEMBL6182198 | 0.76 | CTSB (0.61) | JAK2JAK3LMNAJAK1BMPR1B | |
| SCHEMBL6183627 | 0.75 | GAA (0.52) | LMNAGAACSNK2A2KMT2AMEN1 | |
| SCHEMBL7601393 | 0.74 | LMNA (0.42) | JAK2JAK3CYP2D6ADORA2ALMNA |
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-1161415-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055126-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |