Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27373077 | 0.79 | AKR1B1 (0.33) | AKR1B1PGRIDO1 | |
| SCHEMBL9539975 | 0.78 | AKR1B1 (0.49) | AKR1B1PGRIDO1 | |
| SCHEMBL27353793 | 0.74 | IDO1 (0.36) | AKR1B1PGRIDO1 | |
| SCHEMBL27359100 | 0.72 | PGR (0.32) | PGRIDO1 | |
| SCHEMBL27357835 | 0.72 | PGR (0.35) | PGR | |
| SCHEMBL27372550 | 0.69 | MEN1 (0.34) | AKR1B1IDO1 | |
| SCHEMBL27364305 | 0.69 | IDO1 (0.33) | AKR1B1IDO1 | |
| SCHEMBL9541372 | 0.66 | AKR1B1 (0.45) | AKR1B1PGRIDO1 | |
| SCHEMBL27540120 | 0.64 | DRD2 (0.32) | — | |
| SCHEMBL27356510 | 0.62 | IDO1 (0.34) | IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1071917-A | Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist | MERCK & CO INC (US) | 1993-05-12 | — | — | CN | disclosed |