Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.51 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065349 | 0.92 | PIKFYVE (0.47) | PIKFYVETGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL22066368 | 0.91 | TGFBR1 (0.51) | PIKFYVETGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL22065348 | 0.90 | PIKFYVE (0.50) | PIKFYVETGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL22065229 | 0.81 | PIKFYVE (0.62) | PIKFYVETGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL22024534 | 0.76 | PIKFYVE (0.85) | PIKFYVEMAPTPOLB | |
| SCHEMBL22066383 | 0.75 | TGFBR1 (0.48) | PIKFYVETGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL22066323 | 0.74 | CCNT1 (0.41) | PIKFYVE | |
| SCHEMBL22066315 | 0.73 | PIKFYVE (0.58) | PIKFYVETGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL21975722 | 0.71 | ROCK2 (0.44) | PIKFYVETGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL22066065 | 0.70 | CYP3A4 (0.33) | PIKFYVECYP3A4LMNAPOLBPDE4B |
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 |