Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7516543 | 0.73 | CYP1A2 (0.36) | CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL28241950 | 0.71 | CYP1A2 (0.35) | CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL19511770 | 0.71 | SRC (0.46) | SRC | |
| SCHEMBL4510164 | 0.70 | CYP1A2 (0.39) | CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL30512192 | 0.67 | STS (0.33) | CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL4510020 | 0.66 | CYP1A2 (0.40) | CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL28636388 | 0.65 | MAPT (0.33) | — | |
| SCHEMBL31713022 | 0.63 | SRC (0.31) | SRC | |
| SCHEMBL10912108 | 0.63 | SRC (0.40) | SRC | |
| SCHEMBL10912069 | 0.63 | SRC (0.40) | SRC |
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-2033959-B1 | Tetrahydropyranoquinoline derivatives | MERCK PATENT GMBH (DE) | 2011-04-27 | — | — | EP | disclosed |
| EP-2033959-A1 | Tetrahydropyranoquinoline derivatives | Merck Patent GmbH (DE) | 2009-03-11 | — | — | EP | disclosed |