Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIKFYVE | Q9Y2I7 | 3/20 | 0.62 |
| ▸ | PRKCA | P17252 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 9/20 | 0.46 |
| ▸ | BCR | P11274 | 8/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22066315 | 0.82 | PIKFYVE (0.58) | PIKFYVEABL1BCRCYP3A4CYP2C8 | |
| SCHEMBL22024711 | 0.81 | PIKFYVE (0.68) | PIKFYVEPRKCAABL1BCRPDGFRA | |
| SCHEMBL22066063 | 0.81 | PIKFYVE (0.51) | PIKFYVECYP3A4CYP2C8TGFBR1CYP1A2 | |
| SCHEMBL22066368 | 0.80 | TGFBR1 (0.51) | PIKFYVEPRKCAABL1BCRPDGFRA | |
| SCHEMBL22025016 | 0.79 | PIKFYVE (0.79) | PIKFYVEPRKCAABL1BCRPDGFRA | |
| SCHEMBL22025017 | 0.78 | PIKFYVE (0.82) | PIKFYVEPRKCAABL1BCRPDGFRA | |
| SCHEMBL22025020 | 0.78 | PIKFYVE (0.65) | PIKFYVEABL1BCRPDGFRAPDGFRB | |
| SCHEMBL22065348 | 0.78 | PIKFYVE (0.50) | PIKFYVEABL1BCRCYP3A4CYP2C8 | |
| SCHEMBL22024870 | 0.77 | PIKFYVE (1.00) | PIKFYVEPRKCAABL1BCRPDGFRB | |
| SCHEMBL30675086 | 0.77 | PIKFYVE (1.00) | PIKFYVEPRKCAABL1BCRPDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |