Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL5201374 | 0.91 | L3MBTL1 (0.55) | L3MBTL1CTSKPKMITGB3ITGA2B | |
| SCHEMBL1982889 | 0.79 | ITGB3 (0.50) | CTSKITGB3ITGA2B | |
| SCHEMBL1982893 | 0.79 | ITGB3 (0.50) | CTSKITGB3ITGA2B | |
| SCHEMBL2464520 | 0.77 | CTSK (0.48) | L3MBTL1CTSKITGB3ITGA2BTSHR | |
| SCHEMBL4966319 | 0.77 | ITGB3 (0.52) | ITGB3ITGA2B | |
| SCHEMBL5086307 | 0.76 | HDAC6 (0.49) | CTSKITGB3ITGA2B | |
| SCHEMBL3663113 | 0.76 | CTSK (0.47) | L3MBTL1CTSKITGB3ITGA2BTSHR | |
| SCHEMBL8267680 | 0.76 | CYP3A4 (0.43) | ALDH1A1SMN1; SMN2RAB9ACYP3A4 | |
| SCHEMBL13287321 | 0.76 | CYP3A4 (0.43) | ALDH1A1SMN1; SMN2RAB9ACYP3A4 | |
| SCHEMBL14486103 | 0.76 | ITGB3 (0.56) | ITGB3ITGA2BMAPK1SMN1; SMN2RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| EP-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | disclosed |