Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 7/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL9540092 | 0.81 | PDE7A (0.42) | PDE7APGRAKR1C3AKR1B1MEN1 | |
| SCHEMBL9739695 | 0.70 | NPC1 (0.37) | PGRMEN1KMT2AALDH1A1POLB | |
| SCHEMBL9540227 | 0.70 | PDE7A (0.44) | PDE7APGRAKR1C3AKR1B1MEN1 | |
| SCHEMBL9540131 | 0.70 | AKR1B1 (0.44) | PDE7APGRAKR1C3RPS6KA3AKR1B1 | |
| SCHEMBL11843263 | 0.67 | AKR1C3 (0.51) | PDE7APGRAKR1C3AKR1B1MEN1 | |
| SCHEMBL11845930 | 0.66 | AKR1C3 (0.50) | PDE7APGRAKR1C3AKR1B1MEN1 | |
| SCHEMBL9540067 | 0.65 | AKR1B1 (0.45) | PDE7APGRRPS6KA3AKR1B1NR3C2 | |
| SCHEMBL9539040 | 0.65 | PDE7A (0.47) | PDE7APGRAKR1C3RPS6KA3AKR1B1 | |
| SCHEMBL11842603 | 0.64 | AKR1C3 (0.51) | PDE7APGRAKR1C3AKR1B1MEN1 | |
| SCHEMBL11850571 | 0.64 | HTT (0.47) | PDE7APGRAKR1C3AKR1B1MEN1 |
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 |