Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA2 | P00918 | 7/20 | 0.41 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7140769 | 0.91 | CA12 (0.38) | CA12CA1CA2CA4CNR2 | |
| SCHEMBL7138155 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL11135935 | 0.67 | KCNH2 (0.64) | CNR2KCNH2 | |
| SCHEMBL2188415 | 0.67 | KCNH2 (0.55) | CA12CA1CA2CA4CNR2 | |
| SCHEMBL2187595 | 0.65 | CNR2 (0.59) | CA12CA1CA2CNR2KCNH2 | |
| Acetic Acid SCHEMBL8583606 | 0.64 | ALDH1A1 (0.63) | KCNH2 | |
| SCHEMBL830484 | 0.64 | PPARG (0.57) | CNR2 | |
| SCHEMBL28042133 | 0.64 | CNR2 (0.61) | CA12CA1CA2CA4CNR2 | |
| Beloxamide SCHEMBL636320 | 0.63 | L3MBTL1 (0.49) | KCNH2 | |
| SCHEMBL8900211 | 0.63 | L3MBTL1 (0.52) | — |
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-1159260-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000055124-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |