Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 3/20 | 0.40 |
| ▸ | NAMPT | P43490 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 4/20 | 0.35 |
| ▸ | PPME1 | Q9Y570 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11563220 | 0.73 | PPME1 (0.57) | PDCD1CD274FBP1P4HBPPME1 | |
| SCHEMBL19052384 | 0.66 | NPC1 (0.56) | FBP1GRK2P4HBGRIN2DGRIN3B | |
| SCHEMBL6492531 | 0.65 | FBP1 (0.55) | PDCD1CD274FBP1P4HBEGFR | |
| SCHEMBL14982053 | 0.64 | PKM (0.48) | EGFRHSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL7689781 | 0.64 | PDCD1 (0.64) | PDCD1CD274FBP1GRK2P4HB | |
| SCHEMBL4179378 | 0.64 | KDM4E (0.51) | EGFRHSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL4179377 | 0.64 | KDM4E (0.51) | EGFRHSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL4179371 | 0.64 | KDM4E (0.51) | EGFRHSD17B10KDM4EMEN1ALDH1A1 | |
| SCHEMBL11560363 | 0.63 | ALDH1A1 (0.53) | FBP1KDM4EMEN1ALDH1A1PKM | |
| SCHEMBL10990929 | 0.63 | PDCD1 (0.48) | PDCD1CD274FBP1P4HB |
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 |