Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7153121 | 0.87 | CYP1A2 (0.43) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL10479765 | 0.87 | CYP1A2 (0.43) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL8418690 | 0.87 | CYP1A2 (0.50) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL8418692 | 0.87 | CYP1A2 (0.50) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL10347389 | 0.85 | CYP1A2 (0.48) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL10450407 | 0.85 | CYP1A2 (0.48) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL10450406 | 0.85 | CYP1A2 (0.48) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL10718899 | 0.82 | CYP1A2 (0.44) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL7210018 | 0.81 | CYP1A2 (0.45) | CYP1A2TP53MAPTPKMHTT | |
| SCHEMBL9061090 | 0.79 | CYP1A2 (0.43) | CYP1A2TP53MAPTPKMHTT |
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-0365641-A1 | PYRIDINE DERIVATIVES | MERCK PATENT GmbH (DE) | 1990-05-02 | — | — | EP | disclosed |
| WO-1989010356-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-11-02 | — | — | WO | disclosed |