Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.49 |
| ▸ | GCGR | P47871 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 7/20 | 0.43 |
| ▸ | DBF4 | Q9UBU7 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11378885 | 0.83 | CASP1 (0.60) | CASP1CDK5CDK5R1GCGRALDH1A1 | |
| SCHEMBL11155642 | 0.81 | CASP1 (0.51) | CASP1CDC7 | |
| SCHEMBL11384870 | 0.81 | CASP1 (0.58) | CASP1CDK5CDK5R1GCGRALDH1A1 | |
| SCHEMBL5899777 | 0.74 | CASP1 (1.00) | CASP1CDK5CDK5R1GCGRALDH1A1 | |
| SCHEMBL11381657 | 0.74 | CASP1 (0.64) | CASP1GCGRALDH1A1HPGDHSD17B10 | |
| SCHEMBL11239183 | 0.73 | GCGR (0.36) | GCGRMAPK1GSK3BMAPK14 | |
| SCHEMBL6872795 | 0.73 | ALDH1A1 (0.62) | CASP1GCGRALDH1A1HSD17B10KDM4E | |
| SCHEMBL11382839 | 0.72 | CYP46A1 (0.58) | CASP1ALDH1A1KDM4E | |
| SCHEMBL11378121 | 0.71 | CYP46A1 (0.48) | CASP1CDK5CDK5R1ALDH1A1KDM4E | |
| SCHEMBL31345655 | 0.71 | CASP1 (0.54) | CASP1GCGRALDH1A1HPGDHSD17B10 |
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-4265895-A | 1,2-Dihydro-5-pyridinyl-3H-pyrazolo[3,4-b]pyridin-3-ones and their use as cardiotonics | STERLING DRUG INC. (US) | 1981-05-05 | — | — | US | disclosed |
| US-4264612-A | Lower-alkyl 2-halo-5-(pyridinyl)nicotinates, their preparation and use as cardiotonics | STERLING DRUG INC. (US) | 1981-04-28 | — | — | US | disclosed |