Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | GCGR | P47871 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11236919 | 0.95 | GSK3B (0.42) | GSK3BCYP3A4CYP2D6PDE3BPDE3A | |
| SCHEMBL11235206 | 0.91 | PDE3B (0.38) | GSK3BCYP3A4CYP2D6PDE3BPDE3A | |
| SCHEMBL7278975 | 0.84 | PDE3B (0.49) | GSK3BPDE3BPDE3AALDH1A1NPC1 | |
| SCHEMBL11247476 | 0.82 | PDE3B (0.36) | GSK3BCYP3A4CYP2D6PDE3BPDE3A | |
| SCHEMBL11245026 | 0.82 | PDE3B (0.48) | GSK3BCYP3A4PDE3BPDE3AALDH1A1 | |
| SCHEMBL11248447 | 0.81 | SMN1; SMN2 (0.40) | GSK3BCYP3A4CYP2D6PDE3BPDE3A | |
| SCHEMBL11156699 | 0.80 | CASP1 (0.47) | MAPTCNR1 | |
| SCHEMBL11176428 | 0.79 | CYP3A4 (0.39) | GSK3BCYP3A4CYP2D6GCGRALDH1A1 | |
| SCHEMBL11381156 | 0.79 | CYP46A1 (0.47) | CNR1CNR2 | |
| SCHEMBL11242799 | 0.78 | PDE3B (0.49) | GSK3BPDE3BPDE3AGCGRALDH1A1 |
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 |