Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | LPL | P06858 | 3/20 | 0.57 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL1577575 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL5599017 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL19304390 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL2442972 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL9802185 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL2998787 | 0.98 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| Nitrogen SCHEMBL23668052 | 0.96 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL417687 | 0.92 | TAAR1 (0.59) | CYP1A2CYP2D6CYP2C19LPLLIPG | |
| SCHEMBL19524669 | 0.90 | TAAR1 (0.65) | CYP1A2CYP2D6CYP2C19TAAR1 | |
| SCHEMBL27390155 | 0.90 | LPL (0.51) | CYP1A2CYP2D6CYP2C19LPLLIPG |
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-113527341-A | Alkane soluble tetrakis (pentafluorophenyl) borate and preparation method and application thereof | 中国石油天然气股份有限公司 | 2021-10-22 | — | — | CN | disclosed |