Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 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 | |
|---|---|---|---|---|
| SCHEMBL27536382 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2E1CYP2A6ALDH1A1NPSR1 | |
| SCHEMBL8498623 | 0.81 | CYP3A4 (0.50) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL8498987 | 0.81 | RPS6KA5 (0.39) | CYP3A4CYP2E1CYP2A6NPSR1NOS3 | |
| SCHEMBL8089304 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2E1CYP2A6ALDH1A1NPSR1 | |
| SCHEMBL8502061 | 0.79 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL8733365 | 0.79 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL7130873 | 0.78 | CYP2E1 (0.46) | CYP3A4CYP2E1CYP2A6ALDH1A1KDM4E | |
| SCHEMBL12926022 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL19080612 | 0.75 | CYP3A4 (0.44) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL14428964 | 0.74 | CYP3A4 (0.50) | CYP3A4CYP2E1CYP2A6ALDH1A1CYP1A2 |
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-0946559-A2 | IMIDAZOPYRIDAZINES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028299-A2 | IMIDAZOPYRIDAZINES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1998-07-02 | — | — | WO | disclosed |