Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPME1 | Q9Y570 | 4/20 | 0.57 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.51 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | FBP1 | P09467 | 3/20 | 0.50 |
| ▸ | NEK2 | P51955 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | P4HB | P07237 | 6/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.42 |
| ▸ | APEH | P13798 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL19002422 | 0.81 | BTK (0.53) | PPME1NEK2BTKEGFRAPEH | |
| SCHEMBL11560494 | 0.80 | PPME1 (0.55) | PPME1NEK2BTKEGFRAPEH | |
| SCHEMBL11560496 | 0.80 | PPME1 (0.55) | PPME1NEK2BTKEGFRAPEH | |
| SCHEMBL8540758 | 0.77 | CYP1A2 (0.58) | PPME1FBP1KDM4EMEN1ALDH1A1 | |
| SCHEMBL8540762 | 0.77 | CYP1A2 (0.58) | PPME1FBP1KDM4EMEN1ALDH1A1 | |
| SCHEMBL27690272 | 0.76 | FBP1 (0.49) | PDCD1CD274FBP1P4HBGRIN2D | |
| SCHEMBL6492531 | 0.75 | FBP1 (0.55) | PDCD1CD274FBP1EGFRP4HB | |
| SCHEMBL1680786 | 0.75 | FBP1 (0.55) | PDCD1CD274FBP1P4HBGRIN2D | |
| SCHEMBL31546284 | 0.74 | FBP1 (0.54) | PDCD1CD274FBP1P4HBGRIN2D | |
| SCHEMBL11561668 | 0.73 | PDCD1 (0.41) | PPME1PDCD1CD274FBP1EGFR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |