Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.48 |
| ▸ | KDR | P35968 | 5/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | IDH2 | P48735 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1029917 | 0.93 | EGFR (0.54) | EGFRKDRFGFR1SIRT2IDH2 | |
| SCHEMBL1032586 | 0.79 | SIRT2 (0.51) | EGFRKDRFGFR1SIRT2NPC1 | |
| SCHEMBL1074809 | 0.77 | SLC40A1 (0.48) | EGFRKDRFGFR1 | |
| SCHEMBL1035542 | 0.76 | EGFR (0.52) | EGFRKDRFGFR1SIRT2NPC1 | |
| SCHEMBL1035290 | 0.74 | NPC1 (0.55) | EGFRKDRFGFR1SIRT2NPC1 | |
| SCHEMBL1034665 | 0.72 | CTSA (0.41) | — | |
| SCHEMBL1029916 | 0.71 | HDAC1 (0.52) | KDRSIRT2TP53 | |
| SCHEMBL1034835 | 0.70 | SIRT2 (0.51) | EGFRKDRFGFR1SIRT2NPC1 | |
| SCHEMBL1033832 | 0.70 | IRAK4 (0.47) | SMN1; SMN2PIM1 | |
| SCHEMBL1029914 | 0.70 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 |
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-2273992-B1 | QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-05-25 | — | — | EP | disclosed |