Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23628893 | 0.86 | CYP3A4 (0.66) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL73574 | 0.82 | RAB9A (0.65) | CYP2D6CYP2C9CYP3A4NPC1RAB9A | |
| SCHEMBL13077895 | 0.81 | MAPT (0.49) | NPC1RAB9ALMNAALDH1A1MAPT | |
| SCHEMBL25599679 | 0.81 | KDM4E (0.60) | CYP2C9CYP2C19CYP3A4NPC1RAB9A | |
| SCHEMBL9722767 | 0.81 | CYP2C9 (0.53) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL9722875 | 0.81 | NPC1 (0.61) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL14278030 | 0.80 | MAPT (0.48) | NPC1RAB9ALMNAALDH1A1MAPT | |
| SCHEMBL9722853 | 0.80 | NPC1 (0.57) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL11439414 | 0.79 | CYP2C9 (0.54) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 | |
| SCHEMBL9722788 | 0.79 | CYP2C9 (0.60) | CYP2D6CYP2C9CYP2C19CYP3A4NPC1 |
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-2019141980-A1 | AGRICULTURAL CHEMICALS | GLOBACHEM NV (BE) | 2019-07-25 | — | — | WO | disclosed |