Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 10/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042990 | 0.91 | CNR1 (0.37) | ALDH1A1PIK3CDCNR1GPR55SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL31614990 | 0.82 | PARP1 (0.34) | SMN1; SMN2KDM4ELMNATSHRNR4A1 | |
| SCHEMBL20042913 | 0.81 | PREP (0.37) | ALDH1A1SMN1; SMN2KDM4ELMNATSHR | |
| SCHEMBL31614760 | 0.80 | SMN1; SMN2 (0.36) | SMN1; SMN2KDM4ELMNATSHRNR4A1 | |
| SCHEMBL20042840 | 0.77 | CHRM3 (0.43) | CHRM4 | |
| SCHEMBL20042885 | 0.77 | PIP5K1C (0.38) | ALDH1A1SMN1; SMN2KDM4EIDH1LMNA | |
| SCHEMBL20042706 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CNR2CNR1GPR55CHRM4 | |
| Trifluoroacetic Acid SCHEMBL31615017 | 0.77 | GPR6 (0.32) | — | |
| SCHEMBL31615046 | 0.77 | HPGD (0.42) | ALDH1A1PIK3CDMEN1KMT2A | |
| SCHEMBL31615054 | 0.77 | HPGD (0.42) | ALDH1A1PIK3CDMEN1KMT2A |
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 |