Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.57 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL192334 | 1.00 | PDCD1 (0.57) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Methane SCHEMBL5615229 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL27852091 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Water SCHEMBL28318471 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Biphenyl SCHEMBL11408375 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL28534444 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL3461161 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Ethane SCHEMBL7512730 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Iodide SCHEMBL28397643 | 0.98 | PDCD1 (0.55) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Ethyne SCHEMBL28667860 | 0.95 | PDCD1 (0.53) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 |
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-111226164-B | Electrically controllable device with variable scattering by liquid crystal and method therefor | 法国圣戈班玻璃厂 | 2023-06-02 | — | — | CN | disclosed |