Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.38 |
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540140 | 0.96 | AKR1C3 (0.43) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL9232012 | 0.75 | AKR1C3 (0.56) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL9540227 | 0.72 | PDE7A (0.44) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL11844820 | 0.72 | AKR1C3 (0.49) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL11869473 | 0.71 | AKR1C3 (0.51) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL11843453 | 0.70 | AKR1C3 (0.50) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL11843263 | 0.68 | AKR1C3 (0.51) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL9539109 | 0.68 | AKR1B1 (0.55) | AKR1C3MEN1KMT2AAKR1B1CYP46A1 | |
| SCHEMBL11845930 | 0.68 | AKR1C3 (0.50) | AKR1C3MEN1KMT2ALRRK2AKR1B1 | |
| SCHEMBL9225503 | 0.68 | AKR1C3 (0.47) | AKR1C3MEN1KMT2APGRMAPT |
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 |