Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MITF | O75030 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CYBB | P04839 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539722 | 0.82 | AKR1B1 (0.50) | AKR1B1PGRBRD4GAAMAPT | |
| SCHEMBL9571265 | 0.80 | AKR1B1 (0.47) | AKR1B1KMT2AMEN1MITFTSHR | |
| SCHEMBL27373629 | 0.78 | F11 (0.33) | KMT2AMEN1MITFCYBBAPP | |
| SCHEMBL9539047 | 0.72 | AKR1B1 (0.48) | AKR1B1PGRBRD4GAAMAPT | |
| Methetoin SCHEMBL80506 | 0.71 | LMNA (0.53) | KMT2AMEN1MITFTSHRCYP2C19 | |
| SCHEMBL9540215 | 0.70 | USP2 (0.38) | AKR1B1KMT2AMEN1MITFPGR | |
| SCHEMBL9539805 | 0.68 | PGR (0.41) | AKR1B1KMT2AMEN1PGRMAPT | |
| SCHEMBL9539014 | 0.68 | AKR1B1 (0.40) | AKR1B1KMT2AMEN1PGRGAA | |
| SCHEMBL9540102 | 0.68 | MEN1 (0.37) | AKR1B1KMT2AMEN1PGRGAA | |
| SCHEMBL9571341 | 0.68 | AKR1B1 (0.45) | AKR1B1KMT2AMEN1PGRBRD4 |
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 |