Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8501020 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2E1CYP2A6NOS3NOS1 | |
| SCHEMBL8498987 | 0.79 | RPS6KA5 (0.39) | CYP3A4CYP2E1CYP2A6NOS3NOS1 | |
| SCHEMBL27536382 | 0.79 | CYP3A4 (0.39) | CYP3A4CYP2E1CYP2A6NOS3NOS1 | |
| SCHEMBL10685594 | 0.79 | L3MBTL1 (0.36) | CYP3A4CYP2E1CYP2A6KDM4ENPC1 | |
| SCHEMBL8699160 | 0.76 | ALDH1A1 (0.42) | CYP3A4CYP2E1CYP2A6L3MBTL1MAPT | |
| SCHEMBL10723376 | 0.71 | ADH5 (0.31) | — | |
| SCHEMBL12369780 | 0.71 | NOS3 (0.45) | CYP2A6NOS3NOS1NOS2NPSR1 | |
| SCHEMBL10094619 | 0.70 | CDC7 (0.50) | NOS3NOS1NOS2NPSR1MEN1 | |
| SCHEMBL28661510 | 0.69 | RPS6KA5 (0.47) | NPSR1MEN1KMT2AMAPTRPS6KA5 | |
| SCHEMBL23196722 | 0.68 | CYP3A4 (0.44) | CYP3A4CYP2E1CYP2A6KDM4ENPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1105720-C | Imidazopyridazines compound | AOTANNA MEDICINE AG (DE) | 2003-04-16 | — | — | CN | disclosed |
| US-6043242-A | TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-03-28 | — | — | US | disclosed |
| CN-1246120-A | Imidazopyridazines compound | BYK GULDEN LOMBERG CHEM FAB (DE) | 2000-03-01 | — | — | CN | disclosed |
| US-5053417-A | Antiulcer agents | TANABE SEIYAKU CO., LTD. (JP) | 1991-10-01 | — | — | US | disclosed |
| US-4996217-A | Antiulcer agents | TANABE SEIYAKU COMPANY, LTD. (JP) | 1991-02-26 | — | — | US | disclosed |