Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.74 |
| ▸ | MEN1 | O00255 | 1/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL8784175 | 0.86 | CYP1A2 (0.84) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8783900 | 0.86 | CYP1A2 (0.84) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8071261 | 0.86 | CYP1A2 (0.70) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL29580184 | 0.86 | CYP1A2 (1.00) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL1998890 | 0.86 | CYP1A2 (1.00) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL29457697 | 0.86 | CYP1A2 (1.00) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8068744 | 0.85 | — | — | |
| SCHEMBL8068772 | 0.85 | CYP1A2 (0.69) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8784335 | 0.83 | CYP1A2 (0.82) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8066533 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6028080-A | Quinolin-2-(1H)-ones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |
| EP-0885196-A1 | CHINOLINE-2-(1H)-ONES | MERCK PATENT GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997026244-A1 | CHINOLINE-2-(1H)-ONES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-07-24 | — | — | WO | disclosed |