Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ATP4A | P20648 | 1/20 | 0.32 |
| ▸ | ATP4B | P51164 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9012041 | 0.84 | — | — | |
| SCHEMBL9872305 | 0.82 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9666990 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL9808564 | 0.74 | L3MBTL1 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9666047 | 0.71 | SLC2A1 (0.36) | KMT2A | |
| SCHEMBL9011984 | 0.66 | — | — | |
| SCHEMBL9666016 | 0.66 | PTK2 (0.39) | — | |
| SCHEMBL8501020 | 0.66 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8383772 | 0.65 | MAPT (0.43) | CYP1A2CYP2D6 | |
| SCHEMBL24263523 | 0.65 | NPSR1 (0.43) | CYP2C9CYP2C19L3MBTL1NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |