Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539109 | 0.96 | AKR1B1 (0.55) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539138 | 0.76 | AKR1B1 (0.49) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539996 | 0.75 | AKR1B1 (0.48) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539079 | 0.75 | AKR1B1 (0.48) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539021 | 0.75 | AKR1B1 (0.48) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539957 | 0.74 | AKR1B1 (0.47) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539125 | 0.74 | AKR1B1 (0.47) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9542797 | 0.74 | AKR1B1 (0.47) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539063 | 0.74 | AKR1B1 (0.47) | AKR1B1MEN1KMT2APDE7AIDO1 | |
| SCHEMBL9539064 | 0.73 | IDO1 (0.54) | AKR1B1MEN1KMT2APDE7AIDO1 |
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 |