Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.37 |
| ▸ | CAMKK2 | Q96RR4 | 4/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | CAMKK1 | Q8N5S9 | 3/20 | 0.32 |
| ▸ | SGK1 | O00141 | 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 | |
|---|---|---|---|---|
| SCHEMBL9612921 | 0.80 | DHFR (0.40) | GBA1 | |
| SCHEMBL9612928 | 0.80 | CYP2A6 (0.38) | GBA1 | |
| SCHEMBL18174764 | 0.78 | CYP2A6 (0.41) | PTGS2GBA1 | |
| SCHEMBL15161112 | 0.78 | CYP2A6 (0.47) | GBA1 | |
| SCHEMBL9613124 | 0.76 | CAMKK1 (0.37) | PTGS2CAMKK2PTPN5CAMKK1SGK1 | |
| SCHEMBL9612848 | 0.76 | DHODH (0.41) | PDK2PDK4PTGS2PTGESGBA1 | |
| SCHEMBL9612943 | 0.76 | CYP2A6 (0.39) | PTGS2GBA1 | |
| SCHEMBL9612978 | 0.75 | PTGS2 (0.41) | PDK2PDK4PTGS2CAMKK2CAMKK1 | |
| SCHEMBL15161047 | 0.74 | CYP11B2 (0.43) | GBA1 | |
| SCHEMBL18174777 | 0.73 | CYP2A6 (0.40) | — |
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-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |