Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | SCD | O00767 | 1/20 | 0.45 |
| ▸ | MASP2 | O00187 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6182776 | 0.83 | CTSS (0.64) | CTSSCTSKCTSBCTSL | |
| SCHEMBL7455830 | 0.82 | KMT2A (0.44) | SCDMASP2F2ADORA3MEN1 | |
| SCHEMBL6186012 | 0.82 | ALDH1A1 (0.50) | SCDMASP2F2ADORA3CTSB | |
| SCHEMBL4714775 | 0.82 | CTSK (0.58) | CTSSCTSKCTSBCTSL | |
| SCHEMBL4713449 | 0.80 | CTSK (0.64) | CTSSCTSKCTSBCTSL | |
| SCHEMBL7429047 | 0.80 | CSNK2A1 (0.49) | CTSSCTSKCTSBCTSLMEN1 | |
| SCHEMBL6181733 | 0.78 | KMT2A (0.47) | SCDADORA3MEN1KMT2AKDM4E | |
| SCHEMBL6184390 | 0.76 | CTSL (0.59) | CTSSCTSKCTSBCTSL | |
| SCHEMBL6266978 | 0.76 | CTSL (0.43) | CTSSCTSKCTSBCTSLMEN1 | |
| SCHEMBL5517758 | 0.76 | CTSK (0.61) | CTSSCTSKCTSBCTSL |
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 |