Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540249 | 0.81 | PDE7A (0.41) | PDE7AAKR1C3HTR1AHTR2AHTR7 | |
| SCHEMBL9743860 | 0.81 | HTT (0.41) | GRIN1GRIN2AMAPTSLC6A9AKR1B1 | |
| SCHEMBL9743436 | 0.78 | GRIN1 (0.39) | GRIN1GRIN2AMAPTSLC6A9MEN1 | |
| SCHEMBL11843263 | 0.78 | AKR1C3 (0.51) | PDE7AAKR1C3HTR1AHTR2AHTR7 | |
| SCHEMBL11850571 | 0.78 | HTT (0.47) | PDE7AAKR1C3HTR1AHTR2AHTR7 | |
| SCHEMBL11848069 | 0.77 | HTT (0.46) | PDE7AAKR1C3HTR1AHTR2AHTR7 | |
| SCHEMBL11845930 | 0.77 | AKR1C3 (0.50) | PDE7AAKR1C3GAAMAPTAKR1B1 | |
| SCHEMBL11852309 | 0.76 | HTT (0.46) | PDE7AAKR1C3GRIN1GRIN2AHTR1A | |
| SCHEMBL9232012 | 0.74 | AKR1C3 (0.56) | PDE7AAKR1C3HTR1AHTR2AHTR7 | |
| SCHEMBL11843883 | 0.74 | HTT (0.55) | PDE7AAKR1C3HTR1AHTR2AHTR7 |
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 |