Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 19/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042958 | 1.00 | TACR3 (0.42) | TACR3CYP2C9CYP2C19CYP1A2KCNH2 | |
| SCHEMBL20042982 | 0.89 | P2RX7 (0.46) | TACR3CYP2C9CYP2C19CYP1A2KCNH2 | |
| SCHEMBL20042851 | 0.89 | P2RX7 (0.46) | TACR3CYP2C9CYP2C19CYP1A2KCNH2 | |
| SCHEMBL20042900 | 0.88 | TACR3 (0.38) | TACR3KCNH2TACR2 | |
| SCHEMBL20042898 | 0.88 | TACR3 (0.45) | TACR3CYP2C9CYP2C19CYP1A2KCNH2 | |
| SCHEMBL20042767 | 0.86 | TACR3 (0.44) | TACR3KCNH2 | |
| SCHEMBL20042928 | 0.86 | TACR3 (0.44) | TACR3CYP2C9CYP2C19CYP1A2KCNH2 | |
| SCHEMBL20042727 | 0.86 | TACR3 (0.47) | TACR3KCNH2TACR2 | |
| SCHEMBL20042852 | 0.86 | TACR3 (0.47) | TACR3KCNH2TACR2 | |
| SCHEMBL20042878 | 0.86 | TACR3 (0.47) | TACR3KCNH2TACR2 |
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 |