Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18436036 | 1.00 | P2RX7 (0.35) | P2RX7NISCHALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19637888 | 0.92 | P2RX7 (0.38) | P2RX7NOS2 | |
| SCHEMBL18253718 | 0.92 | P2RX7 (0.38) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24747170 | 0.91 | P2RX7 (0.35) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24747180 | 0.91 | P2RX7 (0.35) | P2RX7NISCH | |
| SCHEMBL27251094 | 0.90 | NPC1 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17726028 | 0.89 | P2RX7 (0.39) | P2RX7NISCHALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24747165 | 0.88 | NPC1 (0.41) | NISCHNPC1 | |
| SCHEMBL24390311 | 0.86 | P2RX7 (0.33) | P2RX7 | |
| SCHEMBL23511705 | 0.86 | — | — |
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-2017095156-A1 | ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-06-08 | — | — | WO | disclosed |