Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.77 |
| ▸ | RAB9A | P51151 | 2/20 | 0.77 |
| ▸ | TAS2R31 | P59538 | 2/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.62 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.62 |
| ▸ | POLB | P06746 | 4/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA4 | P22748 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CA7 | P43166 | 2/20 | 0.62 |
| ▸ | PKM | P14618 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL27775449 | 0.89 | NPC1 (0.82) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| SCHEMBL905614 | 0.88 | NPC1 (0.73) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| Dihydrooroxylin A SCHEMBL12067042 | 0.87 | NPC1 (1.00) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| Dihydrooroxylin A SCHEMBL31682921 | 0.87 | NPC1 (1.00) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| Hamiltone B SCHEMBL29446946 | 0.85 | TAS2R31 (0.67) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| SCHEMBL382207 | 0.84 | TAS2R31 (0.79) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| SCHEMBL20450286 | 0.83 | NPC1 (0.69) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| SCHEMBL2306531 | 0.82 | CYP19A1 (0.82) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| SCHEMBL30017161 | 0.82 | CYP19A1 (0.82) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 | |
| SCHEMBL29928957 | 0.82 | CYP19A1 (0.82) | NPC1RAB9ATAS2R31CYP19A1CYP1A1 |
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-117241668-A | Microbiocidal quinoline/quinoxaline benzothiazine derivatives | 先正达农作物保护股份公司 | 2023-12-15 | — | — | CN | disclosed |