Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR6 | P46095 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TACR3 | P29371 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | FASN | P49327 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20043019 | 0.91 | POLB (0.34) | TP53TDP1P2RX7TACR3KCNH2 | |
| SCHEMBL20042939 | 0.89 | GRM5 (0.40) | P2RX7TACR3KCNH2ALDH1A1KDM4E | |
| SCHEMBL20042868 | 0.88 | P2RX7 (0.35) | THRBTP53TDP1P2RX7LMNA | |
| SCHEMBL20042843 | 0.86 | GRM5 (0.40) | GPR6P2RX7HCRTR1HCRTR2 | |
| SCHEMBL20042894 | 0.86 | GRM5 (0.40) | GPR6P2RX7HCRTR1HCRTR2 | |
| SCHEMBL20042876 | 0.86 | TAS1R3 (0.40) | THRBTP53TDP1P2RX7LMNA | |
| SCHEMBL20042986 | 0.86 | TAS1R3 (0.40) | THRBTP53TDP1P2RX7LMNA | |
| SCHEMBL20042767 | 0.85 | TACR3 (0.44) | P2RX7TACR3KCNH2ALDH1A1FASN | |
| SCHEMBL20042841 | 0.83 | TACR2 (0.45) | THRBTP53TDP1LMNATACR3 | |
| SCHEMBL20043017 | 0.83 | ALDH1A1 (0.36) | THRBP2RX7LMNATACR3KCNH2 |
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 |