Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9330232 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTHPGDHTTCCR6 | |
| SCHEMBL9755580 | 0.67 | PKM (0.32) | ALDH1A1HTTKMT2A | |
| SCHEMBL7317875 | 0.66 | FAAH (0.36) | ALDH1A1MAPTHTTROCK2NPSR1 | |
| SCHEMBL25669632 | 0.63 | NPSR1 (0.39) | ALDH1A1MAPTHPGDHTTCCR6 | |
| SCHEMBL9330238 | 0.63 | HSD11B1 (0.36) | ALDH1A1HTTROCK2NPSR1MEN1 | |
| SCHEMBL7319765 | 0.58 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDHTTCCR6 | |
| SCHEMBL9329826 | 0.58 | ALDH1A1 (0.53) | ALDH1A1MAPTHPGDHTTCCR6 | |
| SCHEMBL8881199 | 0.58 | DAGLA (0.39) | ALDH1A1MAPTHPGDHTTROCK2 | |
| SCHEMBL96013 | 0.58 | FAAH (0.39) | ALDH1A1MAPTHPGDHTTROCK2 | |
| SCHEMBL22952393 | 0.57 | ALDH1A1 (0.57) | ALDH1A1MAPTHPGDHTTCCR6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991019707-A2 | ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES | THE UPJOHN COMPANY (US) | 1991-12-26 | — | — | WO | disclosed |