Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 6/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALPL | P05186 | 2/20 | 0.35 |
| ▸ | ALPG | P10696 | 2/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.34 |
| ▸ | CBFB | Q13951 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540154 | 0.78 | PDE7A (0.50) | AKR1B1PDE7AGAA | |
| SCHEMBL31375636 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAAMAPTALPL | |
| SCHEMBL13906406 | 0.75 | PDE7A (0.59) | AKR1B1PDE7APDK2PDK4GAA | |
| SCHEMBL3083904 | 0.72 | PDK2 (0.47) | AKR1B1PDK2PDK4ALDH1A1KDM4E | |
| SCHEMBL10761127 | 0.72 | GAA (0.38) | AKR1B1PDK2PDK4ALDH1A1KDM4E | |
| SCHEMBL31106537 | 0.71 | ALDH1A1 (0.40) | ALDH1A1KDM4EGAAMEN1MAPT | |
| SCHEMBL31106535 | 0.71 | ALDH1A1 (0.40) | ALDH1A1KDM4EGAAMEN1MAPT | |
| SCHEMBL10358880 | 0.71 | PDE7A (0.48) | AKR1B1PDE7APDK2PDK4GAA | |
| SCHEMBL20495542 | 0.71 | PDK2 (0.42) | AKR1B1PDK2PDK4ALDH1A1KDM4E | |
| SCHEMBL28969992 | 0.71 | PGR (0.37) | AKR1B1PDK2PDK4ALDH1A1KDM4E |
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 |