Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 6/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042706 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CNR1GPR55LMNATSHR | |
| SCHEMBL20042806 | 0.82 | CNR1 (0.47) | ALDH1A1CNR1GPR55LMNATSHR | |
| SCHEMBL20042800 | 0.82 | CNR1 (0.45) | PIK3CAALDH1A1CNR1GPR55LMNA | |
| SCHEMBL20042779 | 0.82 | GPR55 (0.39) | PIK3CAALDH1A1CNR1GPR55LMNA | |
| SCHEMBL20042764 | 0.81 | CNR1 (0.49) | ALDH1A1CNR1GPR55LMNATSHR | |
| SCHEMBL20042785 | 0.81 | CNR2 (0.36) | ALDH1A1CNR1GPR55LMNATSHR | |
| SCHEMBL20042724 | 0.80 | CHRNB2 (0.34) | CNR1GPR55LMNATSHRNR4A1 | |
| SCHEMBL20042718 | 0.80 | CNR2 (0.40) | PIK3CAALDH1A1CNR1GPR55LMNA | |
| SCHEMBL20042816 | 0.79 | CNR1 (0.45) | ALDH1A1CNR1GPR55LMNATSHR | |
| SCHEMBL20042735 | 0.79 | CNR2 (0.41) | PIK3CDPIK3CAALDH1A1CNR1GPR55 |
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 |