Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | BCL6 | P41182 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 4/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20171967 | 0.78 | SYK (0.51) | KDREGFRJAK2LRRK2CDK1 | |
| SCHEMBL6639897 | 0.72 | EGFR (0.46) | EGFRBCL6MAPK1JAK2LRRK2 | |
| SCHEMBL859187 | 0.70 | EGFR (0.51) | KDREGFRBCL6CYP3A4JAK2 | |
| SCHEMBL20171970 | 0.69 | MERTK (0.51) | KDREGFRJAK2CDK1CDK2 | |
| SCHEMBL30749051 | 0.66 | MAP2K1 (0.59) | KDRKDM4EMAPTCDK1AURKA | |
| SCHEMBL5230508 | 0.65 | EGFR (0.42) | KDREGFRBCL6CYP3A4MAPK1 | |
| SCHEMBL20171963 | 0.65 | SYK (0.49) | KDRCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL6644116 | 0.65 | PIN1 (0.43) | EGFRBCL6CDK1CDK2NPY5R | |
| SCHEMBL6642666 | 0.65 | PIN1 (0.51) | KDREGFRBCL6MAPK1JAK2 | |
| SCHEMBL7714549 | 0.65 | AURKA (0.41) | KDREGFRBCL6CYP3A4MAPK1 |
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-3323811-A1 | PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM Corporation (JP) | 2018-05-23 | — | — | EP | disclosed |