Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.34 |
| ▸ | PDE4A | P27815 | 5/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042722 | 0.85 | ALDH1A1 (0.43) | GRM5MGLLNTSR1 | |
| SCHEMBL20042863 | 0.85 | GRM5 (0.42) | PDE2AGRM5KCNH2TAS1R3TAS1R1 | |
| SCHEMBL20042719 | 0.85 | HSD17B10 (0.46) | PDE10AMGLLNTSR1PROKR1 | |
| SCHEMBL20042805 | 0.83 | PDE2A (0.42) | PDE2AGRM5KCNH2TAS1R3TAS1R1 | |
| SCHEMBL20042795 | 0.82 | HPGD (0.46) | PDE10ANTSR1 | |
| SCHEMBL20042829 | 0.77 | P2RX7 (0.41) | GRM5KCNH2P2RX7 | |
| SCHEMBL20042689 | 0.77 | P2RX7 (0.39) | PDE2AGRM5PROKR1P2RX7 | |
| SCHEMBL20042854 | 0.74 | GRM5 (0.42) | GRM5PROKR1P2RX7 | |
| SCHEMBL20042702 | 0.72 | P2RX7 (0.49) | P2RX7 | |
| SCHEMBL20042713 | 0.71 | GRM5 (0.45) | GRM5P2RX7 |
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 |