Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | CBX7 | O95931 | 2/20 | 0.34 |
| ▸ | CDYL | Q9Y232 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.32 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9540169 | 0.86 | IDO1 (0.41) | IDO1CBX7CDYLPGRMEN1 | |
| SCHEMBL9539805 | 0.79 | PGR (0.41) | PGRMEN1KMT2AAKR1B1 | |
| SCHEMBL9539997 | 0.78 | PGR (0.39) | IDO1PGRSMN1; SMN2AKR1B1 | |
| SCHEMBL9540047 | 0.78 | PGR (0.40) | IDO1PGRMEN1KMT2AAKR1B1 | |
| SCHEMBL9539937 | 0.77 | CHRM1 (0.41) | PGRMEN1KMT2ASMN1; SMN2AKR1B1 | |
| SCHEMBL9540133 | 0.76 | PGR (0.39) | PGRMEN1KMT2ASMN1; SMN2AKR1B1 | |
| SCHEMBL9541572 | 0.75 | PGR (0.37) | IDO1PGRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9540123 | 0.75 | PGR (0.43) | IDO1PGRMEN1KMT2AAKR1B1 | |
| SCHEMBL9539803 | 0.75 | PGR (0.38) | PGRSMN1; SMN2AKR1B1 | |
| SCHEMBL9539988 | 0.74 | PGR (0.36) | IDO1PGRSMN1; SMN2AKR1B1 |
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 |