Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18885397 | 0.95 | P2RX7 (0.50) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19013205 | 0.93 | P2RX7 (0.44) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17876668 | 0.93 | ALDH1A1 (0.42) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18561038 | 0.92 | P2RX7 (0.40) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19534018 | 0.91 | ALDH1A1 (0.43) | P2RX7ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL18561430 | 0.90 | P2RX7 (0.41) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18767668 | 0.89 | P2RX7 (0.43) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17876643 | 0.89 | P2RX7 (0.43) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19007621 | 0.89 | P2RX7 (0.43) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17726028 | 0.88 | P2RX7 (0.39) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 |
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-2017105041-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-06-22 | — | — | WO | disclosed |