Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR6 | P46095 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 11/20 | 0.38 |
| ▸ | TACR2 | P21452 | 9/20 | 0.38 |
| ▸ | TACR1 | P25103 | 7/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GPR183 | P32249 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042926 | 0.93 | HPGD (0.40) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20043038 | 0.90 | TACR3 (0.47) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042798 | 0.88 | TACR3 (0.42) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042883 | 0.84 | GPR6 (0.39) | GPR6TACR3TACR2TACR1KCNH2 | |
| SCHEMBL20042983 | 0.84 | GPR6 (0.39) | GPR6TACR3TACR2TACR1KCNH2 | |
| SCHEMBL20042902 | 0.83 | PROKR1 (0.41) | P2RX7LMNACNR1CNR2GPR55 | |
| SCHEMBL20042887 | 0.78 | GPR6 (0.42) | GPR6P2RX7CNR1CNR2GPR55 | |
| SCHEMBL20042727 | 0.74 | TACR3 (0.47) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20042878 | 0.74 | TACR3 (0.47) | TACR3TACR2TACR1KCNH2P2RX7 | |
| SCHEMBL20043017 | 0.74 | 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 |