Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414100 | 0.94 | PDE9A (0.39) | ALDH1A1CYP2A6CHEK1ARMAPKAPK2 | |
| SCHEMBL21414253 | 0.92 | GRM5 (0.37) | ALDH1A1CYP2A6CHEK1PGRGRM5 | |
| SCHEMBL21414227 | 0.92 | ALDH1A1 (0.39) | ALDH1A1CYP2A6MAOAMAOBGRM5 | |
| SCHEMBL21414262 | 0.92 | CHEK1 (0.38) | ALDH1A1CYP2A6CHEK1MAPKAPK2PGR | |
| SCHEMBL21414144 | 0.91 | PGR (0.36) | CHEK1PGR | |
| SCHEMBL21546479 | 0.91 | GRIA2 (0.39) | ALDH1A1CHEK1ARPGRGRIA2 | |
| SCHEMBL19913283 | 0.90 | CHEK1 (0.37) | ALDH1A1CYP2A6CHEK1ARMAPKAPK2 | |
| SCHEMBL20617164 | 0.89 | RXRA (0.43) | ALDH1A1CYP2A6CHEK1ARMAPKAPK2 | |
| SCHEMBL21414242 | 0.89 | PGR (0.38) | CHEK1PGRGRIA2GRIA4 | |
| SCHEMBL21414138 | 0.89 | MAPKAPK2 (0.38) | ALDH1A1CYP2A6CHEK1ARMAPKAPK2 |
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-3385264-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR THE APPLICATION IN ORGANIC OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-10-02 | — | — | EP | disclosed |