Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 3/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 12/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042792 | 0.92 | TACR3 (0.46) | TACR3P2RX7PDE2ATACR2TACR1 | |
| SCHEMBL20042666 | 0.91 | KMT2A (0.46) | TACR3P2RX7PDE2AKCNH2 | |
| SCHEMBL20042752 | 0.91 | HPGD (0.47) | TACR3P2RX7 | |
| SCHEMBL20042886 | 0.91 | HPGD (0.49) | TACR3P2RX7HTR1A | |
| SCHEMBL20042836 | 0.90 | P2RX7 (0.43) | TACR3P2RX7PDE2A | |
| SCHEMBL20042887 | 0.88 | GPR6 (0.42) | P2RX7 | |
| SCHEMBL20042823 | 0.88 | P2RX7 (0.45) | TACR3P2RX7 | |
| SCHEMBL20042880 | 0.87 | P2RX7 (0.40) | TACR3P2RX7 | |
| SCHEMBL20042751 | 0.87 | HSD17B10 (0.49) | TACR3P2RX7KCNH2 | |
| SCHEMBL20042680 | 0.86 | GPR6 (0.44) | 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 |