Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 3/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 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 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL6766491 | 0.79 | PGR (0.57) | PGR | |
| SCHEMBL9539109 | 0.77 | AKR1B1 (0.55) | AKR1B1MEN1KMT2APGRCYP46A1 | |
| SCHEMBL9538752 | 0.74 | AKR1B1 (0.51) | AKR1B1MEN1KMT2APGRCYP46A1 | |
| SCHEMBL9539138 | 0.72 | AKR1B1 (0.49) | AKR1B1MEN1KMT2APGRCYP46A1 | |
| SCHEMBL9539079 | 0.71 | AKR1B1 (0.48) | AKR1B1MEN1KMT2ACYP46A1MAPT | |
| SCHEMBL9539021 | 0.71 | AKR1B1 (0.48) | AKR1B1MEN1KMT2APGRCYP46A1 | |
| SCHEMBL9539996 | 0.71 | AKR1B1 (0.48) | AKR1B1MEN1KMT2APGRMAPT | |
| SCHEMBL9539125 | 0.70 | AKR1B1 (0.47) | AKR1B1MEN1KMT2APGRCYP46A1 | |
| SCHEMBL9539063 | 0.70 | AKR1B1 (0.47) | AKR1B1MEN1KMT2APGRCYP46A1 | |
| SCHEMBL9539957 | 0.70 | AKR1B1 (0.47) | AKR1B1MEN1KMT2ACYP46A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |