Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2310735 | 0.76 | CTSK (0.33) | CA2CA1DNM1CYP3A4L3MBTL1 | |
| SCHEMBL11002809 | 0.75 | DNM1 (0.30) | DNM1 | |
| SCHEMBL17668998 | 0.74 | CA2 (0.31) | CA2CA1DNM1MAPK1 | |
| SCHEMBL27807431 | 0.74 | CA2 (0.35) | CA2CA1DNM1CYP3A4L3MBTL1 | |
| SCHEMBL28368817 | 0.72 | DNM1 (0.36) | CA2CA1DNM1CYP3A4L3MBTL1 | |
| SCHEMBL28753781 | 0.69 | CA1 (0.32) | CA2CA1 | |
| SCHEMBL27614168 | 0.69 | CA2 (0.32) | CA2CA1MAPK1 | |
| SCHEMBL2921159 | 0.69 | DNM1 (0.38) | CA2CA1DNM1CYP3A4L3MBTL1 | |
| SCHEMBL7864014 | 0.68 | DNM1 (0.33) | CA2CA1DNM1MAPK1 | |
| SCHEMBL17669108 | 0.68 | OPRM1 (0.33) | CA2DNM1 |
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-1159278-A2 | INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000047551-A2 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-08-17 | — | — | WO | disclosed |