Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 9/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540147 | 0.84 | BRD4 (0.37) | AKR1B1PKMBRD4 | |
| SCHEMBL9539078 | 0.84 | AKR1B1 (0.48) | AKR1B1PKMBRD4MAPTKMT2A | |
| SCHEMBL9539767 | 0.84 | AKR1B1 (0.48) | AKR1B1BRD4GAAMAPTKMT2A | |
| SCHEMBL9539832 | 0.81 | AKR1B1 (0.51) | AKR1B1LMNABRD4ALDH1A1MAPT | |
| SCHEMBL16108835 | 0.74 | BRD4 (0.53) | AKR1B1LMNAPDK2PDK4PKM | |
| SCHEMBL9571265 | 0.71 | AKR1B1 (0.47) | AKR1B1LMNAPDK2PDK4PKM | |
| SCHEMBL9540059 | 0.69 | PGR (0.40) | AKR1B1MAPT | |
| SCHEMBL9542678 | 0.68 | AKR1B1 (0.38) | AKR1B1GAAMAPTKMT2AMGAM | |
| SCHEMBL27371367 | 0.68 | ALDH1A1 (0.30) | LMNAGAAALDH1A1 | |
| SCHEMBL9539751 | 0.67 | AKR1B1 (0.38) | AKR1B1GAAMAPTKMT2AMGAM |
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 |