Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 7/20 | 0.44 |
| ▸ | PGR | P06401 | 6/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539767 | 0.81 | AKR1B1 (0.48) | AKR1B1PGRAKR1C3PDE7AIDO1 | |
| SCHEMBL9538989 | 0.79 | AKR1B1 (0.44) | AKR1B1PGRAKR1C3NR3C1PDE7A | |
| SCHEMBL27357835 | 0.78 | PGR (0.35) | PGRNR3C2ARRPS6KA3AKR1C3 | |
| SCHEMBL9539040 | 0.75 | PDE7A (0.47) | AKR1B1PGRNR3C2ARRPS6KA3 | |
| SCHEMBL9540067 | 0.74 | AKR1B1 (0.45) | AKR1B1PGRNR3C2ARRPS6KA3 | |
| SCHEMBL9540249 | 0.70 | PDE7A (0.41) | AKR1B1PGRNR3C2ARRPS6KA3 | |
| SCHEMBL9539138 | 0.69 | AKR1B1 (0.49) | AKR1B1PGRAKR1C3NR3C1PDE7A | |
| SCHEMBL9542678 | 0.69 | AKR1B1 (0.38) | AKR1B1PGRAKR1C3PDE7AIDO1 | |
| SCHEMBL9539751 | 0.68 | AKR1B1 (0.38) | AKR1B1PGRAKR1C3IDO1GAA | |
| SCHEMBL9540059 | 0.68 | PGR (0.40) | AKR1B1PGRAKR1C3 |
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-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |