Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 5/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 3/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28003525 | 0.89 | MTOR (0.39) | MTORATRCHEK1PDCD1ATRIP | |
| SCHEMBL3545517 | 0.86 | PDK1 (0.39) | MTORPDK1PDK2PDK3ALDH1A1 | |
| SCHEMBL3435190 | 0.84 | MTOR (0.36) | MTORPDK1PDK2PDK3ATR | |
| SCHEMBL13634284 | 0.84 | PDK1 (0.40) | MTORPDK1PDK2PDK3ALDH1A1 | |
| SCHEMBL13634272 | 0.84 | PDK1 (0.40) | MTORPDK1PDK2PDK3ALDH1A1 | |
| SCHEMBL3551339 | 0.82 | MTOR (0.37) | MTORPDK1PDK2PDK3ALDH1A1 | |
| SCHEMBL28003505 | 0.82 | ATR (0.46) | MTORATRCHEK1PDCD1ATRIP | |
| SCHEMBL3435910 | 0.81 | PDK1 (0.38) | MTORPDK1PDK2PDK3ALDH1A1 | |
| SCHEMBL13634351 | 0.81 | PDK1 (0.38) | MTORPDK1PDK2PDK3ALDH1A1 | |
| SCHEMBL28003498 | 0.81 | ATR (0.36) | MTORATRCHEK1PDCD1ATRIP |
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 |
|---|---|---|---|---|---|---|---|
| CN-104583218-A | Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation | BRISTOL MYERS SQUIBB CO | 2015-04-29 | — | — | CN | disclosed |