Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | TACR3 | P29371 | 5/20 | 0.42 |
| ▸ | TACR1 | P25103 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042982 | 1.00 | P2RX7 (0.46) | P2RX7TACR3TACR1CYP1A2CYP2D6 | |
| SCHEMBL20042865 | 0.89 | TACR3 (0.42) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20042958 | 0.89 | TACR3 (0.42) | TACR3CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL20042852 | 0.88 | TACR3 (0.47) | P2RX7TACR3TACR1KCNH2TACR2 | |
| SCHEMBL20042883 | 0.88 | GPR6 (0.39) | P2RX7TACR3TACR1KCNH2TACR2 | |
| SCHEMBL20042983 | 0.88 | GPR6 (0.39) | P2RX7TACR3TACR1KCNH2TACR2 | |
| SCHEMBL20042841 | 0.88 | TACR2 (0.45) | TACR3CYP1A2CYP2D6CYP2C19KCNH2 | |
| SCHEMBL20042835 | 0.86 | HSD17B10 (0.41) | P2RX7TACR3TACR1CYP1A2CYP2D6 | |
| SCHEMBL20042868 | 0.86 | P2RX7 (0.35) | P2RX7TACR3TACR1CYP2D6CYP2C9 | |
| SCHEMBL20042864 | 0.86 | HSD17B10 (0.39) | P2RX7TACR3TACR1CYP1A2CYP2D6 |
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 |