Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | FASN | P49327 | 7/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042894 | 0.88 | GRM5 (0.40) | P2RX7GRM5PDE2A | |
| SCHEMBL20042843 | 0.88 | GRM5 (0.40) | P2RX7GRM5PDE2A | |
| SCHEMBL20043019 | 0.87 | POLB (0.34) | TACR3KCNH2ALDH1A1P2RX7GRM5 | |
| SCHEMBL20042982 | 0.86 | P2RX7 (0.46) | TACR3KCNH2ALDH1A1P2RX7SLC6A7 | |
| SCHEMBL20042865 | 0.86 | TACR3 (0.42) | TACR3KCNH2 | |
| SCHEMBL20042851 | 0.86 | P2RX7 (0.46) | TACR3KCNH2ALDH1A1P2RX7SLC6A7 | |
| SCHEMBL20042958 | 0.86 | TACR3 (0.42) | TACR3KCNH2 | |
| SCHEMBL20042897 | 0.86 | ALDH1A1 (0.40) | ALDH1A1P2RX7FASN | |
| SCHEMBL20042939 | 0.85 | GRM5 (0.40) | TACR3KCNH2ALDH1A1P2RX7GRM5 | |
| SCHEMBL20042853 | 0.85 | GPR6 (0.34) | TACR3KCNH2ALDH1A1P2RX7FASN |
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 |