Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3243042 | 0.89 | CYP17A1 (0.41) | CYP17A1JAK2BRD4CREBBPHDAC1 | |
| SCHEMBL3251493 | 0.88 | CYP17A1 (0.45) | CYP17A1JAK2BRD4CREBBPGABRA1 | |
| SCHEMBL4155388 | 0.84 | CYP17A1 (0.42) | CYP17A1JAK2BRD4CREBBPGABRA1 | |
| SCHEMBL3249904 | 0.82 | JAK3 (0.44) | CYP17A1JAK2 | |
| SCHEMBL3251646 | 0.81 | MAP4K4 (0.40) | CYP17A1JAK2BRD4CREBBPHDAC1 | |
| SCHEMBL4713726 | 0.81 | CYP17A1 (0.48) | CYP17A1JAK2BRD4CREBBPGABRA1 | |
| SCHEMBL3245555 | 0.79 | MAP4K4 (0.44) | CYP17A1JAK2BRD4CREBBPGABRA1 | |
| Propionic Acid SCHEMBL4155395 | 0.78 | CYP17A1 (0.44) | CYP17A1JAK2BRD4CREBBPGABRA1 | |
| SCHEMBL3252205 | 0.78 | TTK (0.42) | CYP17A1MAP4K4 | |
| SCHEMBL4166406 | 0.75 | MAP4K4 (0.41) | CYP17A1JAK2GABRA1GABRG2GABRB3 |
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-1899335-B1 | PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS | PF MEDICAMENT (FR) | 2010-05-19 | — | — | EP | disclosed |