Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 5/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18860555 | 1.00 | BRD4 (0.40) | BRD4IP6K1CHRNB2CHRNA4METAP2 | |
| SCHEMBL18860544 | 0.98 | BRD4 (0.41) | BRD4IP6K1CHRNB2CHRNA4METAP2 | |
| SCHEMBL20504119 | 0.86 | MAPK1 (0.51) | BRD4MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20504062 | 0.85 | MAPK1 (0.47) | BRD4CHRNB2CHRNA4METAP2MAPK1 | |
| SCHEMBL25970670 | 0.85 | IL2 (0.47) | BRD4MET | |
| SCHEMBL1487564 | 0.85 | MAP4K1 (0.47) | BRD4MAPK1JAK3CYP1A2CYP3A4 | |
| SCHEMBL18891802 | 0.82 | ROCK2 (0.45) | IP6K1CHRNB2CHRNA4MAPK1IP6K3 | |
| SCHEMBL16343917 | 0.82 | GSK3B (0.47) | IP6K1MAPK1IP6K3JAK3ROCK2 | |
| SCHEMBL15555502 | 0.81 | METAP2 (0.41) | BRD4METAP2MAPK1CYP1A2CYP3A4 | |
| SCHEMBL18891653 | 0.80 | ROCK2 (0.43) | IP6K1CHRNB2CHRNA4MAPK1IP6K3 |
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-3377491-B1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV DISCOVERY (FR) | 2019-11-13 | — | — | EP | disclosed |