Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | MMP2 | P08253 | 3/20 | 0.36 |
| ▸ | MMP9 | P14780 | 3/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2163671 | 0.86 | GPR88 (0.46) | CTSBCTSSCTSKALDH1A1GPR88 | |
| SCHEMBL17685101 | 0.79 | SLC6A2 (0.41) | SLC6A4MMP2MMP9MMP8MMP1 | |
| SCHEMBL5768363 | 0.78 | AAK1 (0.42) | FPR2NOX1CTSLCTSBCTSS | |
| SCHEMBL2156180 | 0.71 | CTSL (0.51) | CTSLCTSBCTSSCTSK | |
| SCHEMBL2156988 | 0.71 | CTSL (0.51) | CTSLCTSBCTSSCTSK | |
| SCHEMBL3957173 | 0.69 | CA12 (0.42) | CTSBCTSSCTSKGPR88 | |
| SCHEMBL2163020 | 0.69 | GPR88 (0.44) | CTSSCTSKALDH1A1GPR88 | |
| SCHEMBL7368898 | 0.68 | ALDH1A1 (0.49) | FPR2SLC6A4MEN1KMT2AALDH1A1 | |
| SCHEMBL7371524 | 0.68 | ALDH1A1 (0.49) | FPR2SLC6A4MEN1KMT2AALDH1A1 | |
| SCHEMBL18158217 | 0.68 | SLC6A4 (0.47) | NOX1SLC6A4ALDH1A1LMNAMAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1482924-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2006-03-08 | — | — | EP | disclosed |
| EP-1482924-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | disclosed |