Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 15/20 | 0.47 |
| ▸ | TACR2 | P21452 | 9/20 | 0.47 |
| ▸ | TACR1 | P25103 | 7/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042727 | 0.92 | TACR3 (0.47) | TACR3TACR2TACR1KCNH2PDE2A | |
| SCHEMBL20042878 | 0.92 | TACR3 (0.47) | TACR3TACR2TACR1KCNH2PDE2A | |
| SCHEMBL20042900 | 0.90 | TACR3 (0.38) | TACR3TACR2TACR1KCNH2PDE2A | |
| SCHEMBL20042983 | 0.88 | GPR6 (0.39) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042883 | 0.88 | GPR6 (0.39) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042982 | 0.88 | P2RX7 (0.46) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042851 | 0.88 | P2RX7 (0.46) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042877 | 0.88 | TACR3 (0.36) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042841 | 0.86 | TACR2 (0.45) | TACR3TACR2KCNH2 | |
| SCHEMBL20042753 | 0.86 | ALDH1A1 (0.36) | TACR3TACR2TACR1KCNH2P2RX7 |
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 |