Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3395407 | 0.86 | KCNH2 (0.40) | CYP1A2GSK3AGSK3BHSD17B10 | |
| SCHEMBL3434435 | 0.84 | KCNH2 (0.33) | GABRG2GABRB3CYP1A2GABRA5GABRA3 | |
| SCHEMBL3394361 | 0.76 | KDR (0.41) | PTGESKDM4EMAPTMAPK1KMT2A | |
| SCHEMBL13425741 | 0.69 | KDR (0.37) | KDM4EMAPK1CYP1A2CDK1KDR | |
| SCHEMBL3433177 | 0.67 | KCNH2 (0.36) | PIM1GSK3AGSK3B | |
| SCHEMBL3363995 | 0.67 | ADORA1 (0.55) | KDM4EGABRG2GABRB3GABRA1GABRA2 | |
| SCHEMBL3394038 | 0.65 | ALOX15 (0.44) | KDM4EMAPTMAPK1KMT2ACYP1A2 | |
| SCHEMBL3395404 | 0.63 | KCNH2 (0.47) | MAPK1CYP1A2CYP2C19CDK1CHEK1 | |
| SCHEMBL13425543 | 0.62 | NR1H4 (0.37) | MAPK1KMT2ACYP1A2CYP2C19KDR | |
| SCHEMBL11630169 | 0.61 | HPGD (0.42) | KDM4ETRPA1CYP2C19MARK3GSK3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |