Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11226168 | 0.82 | ALDH1A1 (0.49) | CYP11B1CYP11B2CYP17A1ALDH1A1TSHR | |
| SCHEMBL7278975 | 0.81 | PDE3B (0.49) | ALDH1A1MAPK1HSD17B10GRM2 | |
| SCHEMBL11165304 | 0.81 | MKNK1 (0.52) | CYP3A4ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL11242595 | 0.80 | MAPK1 (0.42) | CYP2A6CYP11B1CYP11B2MAPK1CYP19A1 | |
| SCHEMBL7281940 | 0.80 | CYP2A6 (0.47) | CYP2A6CYP11B1CYP3A4CYP11B2CYP17A1 | |
| SCHEMBL7272652 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP11B1CYP3A4CYP11B2CYP17A1 | |
| SCHEMBL11386479 | 0.77 | LMNA (0.41) | CYP11B1CYP3A4CYP11B2CYP17A1ALDH1A1 | |
| SCHEMBL2598836 | 0.77 | CYP11B1 (0.53) | CYP2A6CYP11B1CYP11B2CYP17A1ALDH1A1 | |
| SCHEMBL7273135 | 0.73 | MTOR (0.42) | MKNK1 | |
| SCHEMBL15785460 | 0.73 | CYP11B2 (0.47) | CYP2A6CYP11B1CYP3A4CYP11B2CYP1A2 |
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-4351941-A | Pyridinyl-pyridines | STERLING DRUG INC. (US) | 1982-09-28 | — | — | US | disclosed |
| US-4331672-A | 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use | STERLING DRUG INC. (US) | 1982-05-25 | — | — | US | disclosed |