Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | LAP3 | P28838 | 4/20 | 0.46 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30758601 | 1.00 | TRPA1 (0.70) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL3619292 | 0.86 | TRPA1 (0.68) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL3619294 | 0.86 | TRPA1 (0.68) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL3844176 | 0.83 | CYP2D6 (0.61) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL28266462 | 0.83 | CYP2D6 (0.61) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL15101101 | 0.83 | TRPA1 (1.00) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL23752456 | 0.81 | SLC6A2 (0.61) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL6193282 | 0.81 | SLC6A2 (0.61) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL2232612 | 0.81 | SLC6A2 (0.61) | TRPA1CYP2D6SLC6A2TAAR1MAOA | |
| SCHEMBL6191623 | 0.81 | SLC6A2 (0.61) | TRPA1CYP2D6SLC6A2TAAR1MAOA |
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-117510547-A | Spiro chiral platinum (II) and palladium (II) complex circularly polarized luminescent material and application thereof | 浙江工业大学 | 2024-02-06 | — | — | CN | disclosed |