Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 14/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042663 | 0.84 | P2RX7 (0.34) | P2RX7CYP1A2CHRM4ESR1ESR2 | |
| SCHEMBL20042745 | 0.80 | P2RX7 (0.33) | P2RX7CYP1A2CHRM4EP300CREBBP | |
| SCHEMBL28672930 | 0.77 | POLB (0.39) | P2RX7ESR2 | |
| SCHEMBL20042855 | 0.76 | P2RX7 (0.35) | P2RX7CYP1A2CHRM4 | |
| SCHEMBL20042665 | 0.75 | P2RX7 (0.32) | P2RX7ESR1ESR2 | |
| SCHEMBL20042734 | 0.74 | P2RX7 (0.47) | P2RX7 | |
| SCHEMBL20078110 | 0.71 | HSP90AA1 (0.52) | ABHD6ESR1ESR2HSP90AA1 | |
| SCHEMBL20042730 | 0.70 | NPC1 (0.48) | P2RX7EP300 | |
| SCHEMBL16033863 | 0.69 | PARP1 (0.47) | P2RX7ESR2 | |
| Trifluoroacetic Acid SCHEMBL30321307 | 0.68 | UHRF1 (0.34) | P2RX7 |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |