Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 8/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539805 | 0.88 | PGR (0.41) | PGRAKR1B1CHRM1MAPTKDM4E | |
| SCHEMBL9540133 | 0.88 | PGR (0.39) | PGRAKR1B1CHRM1MAPTKDM4E | |
| SCHEMBL9539937 | 0.86 | CHRM1 (0.41) | PGRAKR1B1CHRM1MAPTKDM4E | |
| SCHEMBL9539997 | 0.85 | PGR (0.39) | PGRAKR1B1CHRM1MAPTALDH1A1 | |
| SCHEMBL9540169 | 0.84 | IDO1 (0.41) | PGRAKR1B1MEN1KMT2AIDO1 | |
| SCHEMBL9539803 | 0.84 | PGR (0.38) | PGRAKR1B1CHRM1MAPTKDM4E | |
| SCHEMBL9540123 | 0.84 | PGR (0.43) | PGRAKR1B1CHRM1MAPTKDM4E | |
| SCHEMBL9541572 | 0.82 | PGR (0.37) | PGRAKR1B1CHRM1MAPTKDM4E | |
| SCHEMBL9539988 | 0.81 | PGR (0.36) | PGRAKR1B1CHRM1MAPTIDO1 | |
| SCHEMBL9542738 | 0.81 | PGR (0.36) | PGRAKR1B1CHRM1MAPTKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1071917-A | Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist | MERCK & CO INC (US) | 1993-05-12 | — | — | CN | disclosed |
| 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 |