Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL545869 | 0.77 | MAOB (0.37) | CA1CA2CA5ACA9 | |
| SCHEMBL395531 | 0.74 | ALDH1A1 (0.50) | CA2 | |
| SCHEMBL1660597 | 0.74 | ALDH1A1 (0.39) | CA2 | |
| SCHEMBL187641 | 0.74 | NFKB1 (0.47) | NFKB1 | |
| SCHEMBL7190827 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL8630737 | 0.70 | NFKB1 (0.35) | CA1CA2CA5ACA9NFKB1 | |
| SCHEMBL18378534 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL2096273 | 0.70 | NFKB1 (0.35) | CA1CA2CA5ACA9NFKB1 | |
| SCHEMBL446264 | 0.69 | — | — | |
| SCHEMBL6635311 | 0.69 | HSPA5 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |