Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | DUT | P33316 | 2/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.31 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.30 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21407445 | 0.87 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1DUTPIK3R1PIK3CA | |
| SCHEMBL14949338 | 0.79 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL445394 | 0.76 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL445392 | 0.76 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL2628927 | 0.76 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL19974442 | 0.75 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL8293842 | 0.75 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL3412038 | 0.74 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL23303726 | 0.72 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1PIK3R1PIK3CABUB1 | |
| SCHEMBL11951251 | 0.72 | DUT (0.36) | DUT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2776404-B1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIV CONNECTICUT (US) | 2016-07-06 | — | — | EP | disclosed |
| US-8853228-B2 | Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase | UNIVERSITY OF CONNECTICUT (US) | 2014-10-07 | — | — | US | disclosed |
| US-8426432-B2 | Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties | UNIVERSITY OF CONNECTICUT (US) | 2013-04-23 | — | — | US | disclosed |