Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.54 |
| ▸ | AKT2 | P31751 | 1/20 | 0.54 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | RARG | P13631 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31413560 | 0.86 | NPC1 (0.60) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31220826 | 0.82 | NPC1 (0.58) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413553 | 0.81 | NPC1 (0.50) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413541 | 0.81 | CYP1A2 (0.57) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413570 | 0.81 | KDM4E (0.44) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413580 | 0.80 | SMN1; SMN2 (0.57) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413546 | 0.79 | SMN1; SMN2 (0.56) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413559 | 0.79 | NTRK1 (0.44) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413540 | 0.76 | RAB9A (0.60) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413543 | 0.75 | SMN1; SMN2 (0.50) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119504744-A | C3 arylformyloxy 4H-pyrido [1,2-a ] pyrimidine-4-ketone derivative and synthetic method thereof | 山西医科大学 | 2025-02-25 | — | — | CN | disclosed |