Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 8/20 | 0.56 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 3/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | CBX7 | O95931 | 1/20 | 0.40 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.40 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.40 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539722 | 0.79 | AKR1B1 (0.50) | AKR1B1IDO1HTR7PGR | |
| SCHEMBL9539073 | 0.75 | AKR1B1 (0.49) | AKR1B1IDO1HTR7PGRCBX7 | |
| SCHEMBL9539109 | 0.74 | AKR1B1 (0.55) | AKR1B1IDO1HTR7PGRCBX7 | |
| SCHEMBL9539047 | 0.74 | AKR1B1 (0.48) | AKR1B1IDO1HTR7PGRCYP46A1 | |
| SCHEMBL9539079 | 0.74 | AKR1B1 (0.48) | AKR1B1IDO1HTR7CBX7CDYL2 | |
| SCHEMBL11884053 | 0.72 | AKR1B1 (0.46) | AKR1B1IDO1HTR7PGRMEN1 | |
| SCHEMBL10656869 | 0.72 | AKR1B1 (1.00) | AKR1B1 | |
| SCHEMBL27353793 | 0.72 | IDO1 (0.36) | AKR1B1IDO1HTR7PGRCBX7 | |
| SCHEMBL9539021 | 0.71 | AKR1B1 (0.48) | AKR1B1IDO1HTR7PGRMEN1 | |
| SCHEMBL9538752 | 0.71 | AKR1B1 (0.51) | AKR1B1IDO1HTR7PGRMEN1 |
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 |