Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.57 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.57 |
| ▸ | ROS1 | P08922 | 1/20 | 0.57 |
| ▸ | FLT3 | P36888 | 1/20 | 0.57 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.57 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
| ▸ | STK17B | O94768 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8813070 | 0.82 | KDM1A (0.66) | EGFRERBB2FLT3HTTKDM1A | |
| SCHEMBL27212829 | 0.81 | KDM1A (0.58) | EGFRERBB2AURKBCLK4ALDH1A1 | |
| SCHEMBL8810229 | 0.80 | KDM1A (0.57) | EGFRAURKBCLK4ALDH1A1HTT | |
| SCHEMBL8811488 | 0.77 | LMNA (0.71) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL10337961 | 0.77 | LMNA (0.64) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL1387173 | 0.76 | EGFR (0.61) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL6213388 | 0.75 | MAPT (0.61) | ALDH1A1HTTTDP1KDM1ALMNA | |
| Benzylphenylether SCHEMBL8809498 | 0.74 | EGFR (0.59) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL4421697 | 0.73 | MEN1 (0.49) | EGFRERBB2CHEK2ROS1FLT3 | |
| SCHEMBL1387226 | 0.73 | EGFR (1.00) | 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 |