Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19013205 | 0.84 | P2RX7 (0.44) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19007621 | 0.83 | P2RX7 (0.43) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18885397 | 0.83 | P2RX7 (0.50) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19007184 | 0.82 | P2RX7 (0.46) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18935227 | 0.80 | P2RX7 (0.42) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17726028 | 0.80 | P2RX7 (0.39) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24747170 | 0.80 | P2RX7 (0.35) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18561430 | 0.78 | P2RX7 (0.41) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18561038 | 0.78 | P2RX7 (0.40) | P2RX7ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17851200 | 0.78 | P2RX7 (0.40) | 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-2019189037-A1 | FUSED-RING COMPOUND, METHOD FOR PRODUCING SAME, AND PRODUCTION INTERMEDIATE THEREOF | 東ソー株式会社 | 2019-10-03 | — | — | WO | disclosed |