Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 2/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 12/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 12/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 12/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 12/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 12/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 12/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | SCD | O00767 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199078 | 0.87 | APP (0.39) | NR2E1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL22185903 | 0.83 | RXRA (0.33) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL22199103 | 0.77 | SCD (0.39) | NR2E1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL22199097 | 0.74 | SMN1; SMN2 (0.41) | NR2E1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL22199006 | 0.73 | ALDH1A1 (0.32) | CYP2C19 | |
| SCHEMBL22199086 | 0.70 | NR2E1 (0.38) | NR2E1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL22185896 | 0.69 | RXRA (0.31) | — | |
| SCHEMBL22199033 | 0.69 | NR2E1 (0.44) | NR2E1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL22184923 | 0.69 | KCNH2 (0.48) | NR2E1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7921146 | 0.65 | PSEN1 (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |