Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.59 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.59 |
| ▸ | ROS1 | P08922 | 1/20 | 0.59 |
| ▸ | FLT3 | P36888 | 1/20 | 0.59 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.59 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.59 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Benzylphenylether SCHEMBL8813074 | 0.80 | PDGFRB (0.58) | EGFRFLT3LMNAHTTMAPK1 | |
| SCHEMBL3992023 | 0.80 | PI4KA (0.56) | EGFRERBB2AURKBCLK4RAB9A | |
| SCHEMBL8811488 | 0.79 | LMNA (0.71) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL1387173 | 0.78 | EGFR (0.61) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL8807926 | 0.74 | EGFR (0.90) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL1387226 | 0.74 | EGFR (1.00) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL8809494 | 0.74 | EGFR (0.57) | EGFRERBB2CHEK2ROS1FLT3 | |
| Benzylphenylether SCHEMBL61660 | 0.74 | LMNA (0.74) | RAB9AL3MBTL1LMNACYP1A2PTGS1 | |
| SCHEMBL1680825 | 0.73 | EGFR (0.76) | EGFRERBB2CHEK2ROS1FLT3 | |
| Hydrochloric Acid SCHEMBL8810027 | 0.73 | EGFR (0.97) | EGFRERBB2CHEK2ROS1FLT3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0782570-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009294-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |