Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12657304 | 0.77 | KIF11 (0.38) | KIF11NPSR1HPGDBACE1LMNA | |
| SCHEMBL2223953 | 0.74 | CHRM2 (0.37) | KIF11BACE1 | |
| SCHEMBL7938518 | 0.73 | GSK3B (0.33) | KIF11NPSR1HPGDBACE1LMNA | |
| SCHEMBL1649848 | 0.72 | RARA (0.40) | KIF11NPSR1BACE1MEN1ALDH1A1 | |
| SCHEMBL20921350 | 0.72 | MEN1 (0.34) | KIF11NPSR1HPGDBACE1LMNA | |
| SCHEMBL11362592 | 0.69 | APP (0.34) | KIF11NPSR1LMNAHTTMEN1 | |
| SCHEMBL9296110 | 0.69 | OPRM1 (0.41) | NPSR1LMNAGAAKMT2A | |
| SCHEMBL8793724 | 0.68 | BACE1 (0.36) | KIF11BACE1HTTRYR2 | |
| SCHEMBL7941273 | 0.68 | BACE1 (0.47) | BACE1 | |
| SCHEMBL5173751 | 0.68 | KIF11 (0.33) | KIF11NPSR1BACE1LMNAHTT |
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-0534511-A1 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1993-03-31 | — | — | EP | disclosed |
| EP-0434365-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | disclosed |