Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | AHR | P35869 | 2/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17422783 | 0.79 | CYP19A1 (0.71) | CYP19A1CYP2A6AHRNR4A2NOS1 | |
| SCHEMBL21812417 | 0.79 | CYP19A1 (0.55) | CYP19A1CYP2A6AHRNR4A2NOS1 | |
| SCHEMBL10246 | 0.76 | CYP2A6 (0.59) | CYP19A1CYP2A6AHRNR4A2NOS1 | |
| SCHEMBL17422786 | 0.76 | CYP19A1 (0.52) | CYP19A1CYP2A6AHRNR4A2NOS1 | |
| SCHEMBL5706427 | 0.76 | AOC3 (0.54) | CYP19A1CYP2A6AHRNR4A2NOS1 | |
| SCHEMBL11167972 | 0.76 | CYP19A1 (0.52) | CYP19A1CYP2A6AHRNR4A2NOS1 | |
| SCHEMBL4949482 | 0.76 | CYP19A1 (0.52) | CYP19A1CYP2A6AHRNR4A2NOS1 | |
| SCHEMBL28742659 | 0.76 | FLT3 (0.55) | FLT3HRH4ABL1PDGFRBPDGFRA | |
| SCHEMBL3386077 | 0.76 | LOXL2 (0.53) | CYP19A1AHRNR4A2NOS1FLT3 | |
| SCHEMBL745692 | 0.75 | CYP19A1 (0.47) | CYP19A1CYP2A6AHRNR4A2NOS1 |
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-2018380-B1 | Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBOTT LAB (US) | 2011-10-19 | — | — | EP | disclosed |