Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SLC27A2 | O14975 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539805 | 0.86 | PGR (0.41) | MEN1KMT2AAKR1B1PGRMAPT | |
| SCHEMBL9539937 | 0.76 | CHRM1 (0.41) | MEN1KMT2AAKR1B1PGRMAPT | |
| SCHEMBL9540047 | 0.74 | PGR (0.40) | MEN1KMT2AAKR1B1PGRMAPT | |
| SCHEMBL9539803 | 0.74 | PGR (0.38) | AKR1B1PGRMAPTGAAKDM4E | |
| SCHEMBL9539997 | 0.72 | PGR (0.39) | AKR1B1PGRMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL9540133 | 0.72 | PGR (0.39) | MEN1KMT2AAKR1B1PGRTP53 | |
| SCHEMBL9542468 | 0.72 | PGR (0.40) | MEN1KMT2APGRMAPTKDM4E | |
| SCHEMBL9540123 | 0.72 | PGR (0.43) | MEN1KMT2AAKR1B1PGRMAPT | |
| SCHEMBL9540169 | 0.72 | IDO1 (0.41) | MEN1KMT2AAKR1B1PGRTP53 | |
| SCHEMBL9539722 | 0.71 | AKR1B1 (0.50) | AKR1B1PGRMAPTGAAMGAM |
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 |