Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22728387 | 1.00 | TRPA1 (0.35) | TRPA1MAOAMAOBLMNAKDM4E | |
| SCHEMBL22728291 | 0.75 | LMNA (0.37) | MAOAMAOBLMNAKDM4EDPP4 | |
| SCHEMBL14446924 | 0.74 | KDM4E (0.39) | MAOAMAOBLMNAKDM4EDPP4 | |
| SCHEMBL22728280 | 0.71 | SMN1; SMN2 (0.33) | LMNAESR1ESR2CYP2D6CYP2C19 | |
| SCHEMBL22728285 | 0.71 | SMN1; SMN2 (0.33) | LMNAESR1ESR2CYP2D6CYP2C19 | |
| SCHEMBL3160096 | 0.71 | ESR1 (0.42) | MAOAMAOBLMNAKDM4EDPP4 | |
| SCHEMBL14349290 | 0.69 | TRPA1 (0.42) | TRPA1MAOAMAOBLMNAKDM4E | |
| SCHEMBL14376105 | 0.68 | LOXL2 (0.40) | TRPA1MAOAMAOBDPP4ESR1 | |
| SCHEMBL11567690 | 0.68 | ESR1 (0.40) | MAOAMAOBLMNAKDM4EDPP4 | |
| SCHEMBL11566623 | 0.67 | IDO1 (0.38) | MAOAMAOBLMNAKDM4EDPP4 |
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-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |