Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9193075 | 0.84 | TSHR (0.49) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9366996 | 0.77 | L3MBTL1 (0.44) | L3MBTL1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL9365256 | 0.70 | TSHR (0.52) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| 2-Aminopyridine SCHEMBL10923877 | 0.70 | NOS3 (0.94) | NOS3NOS1NOS2PI4KAPI4K2B | |
| 2-Aminopyridine SCHEMBL5693366 | 0.69 | NOS3 (0.73) | NOS3NOS1NOS2PI4KAPI4K2B | |
| 2-Aminopyridine SCHEMBL28885375 | 0.68 | — | — | |
| SCHEMBL11262697 | 0.68 | CYP2D6 (0.53) | NOS3NOS1NOS2TSHRCYP2D6 | |
| SCHEMBL1004028 | 0.68 | TSHR (0.58) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7897721 | 0.68 | TSHR (0.49) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| (Chloromethyl)Benzene SCHEMBL27846277 | 0.68 | NOS3 (0.64) | NOS3NOS1NOS2PI4KAPI4K2B |
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-0427160-B1 | Benzylselenobenzamides of aminopyridines and picolylamines | NATTERMANN A & CIE (DE) | 1995-04-05 | — | — | EP | disclosed |
| EP-0427160-A1 | Benzylselenobenzamides of aminopyridines and picolylamines | A. Nattermann & Cie. GmbH (DE) | 1991-05-15 | — | — | EP | disclosed |