Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29420175 | 0.76 | PTPN1 (0.37) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL14938874 | 0.75 | TDP1 (0.38) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL12477568 | 0.74 | GABRA1 (0.33) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23867871 | 0.73 | APP (0.50) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3614755 | 0.73 | GRM5 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL563613 | 0.71 | APP (0.55) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4307567 | 0.71 | GRM5 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| Diphenylacetylene SCHEMBL3842452 | 0.69 | APP (0.60) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16755617 | 0.69 | TDP1 (0.43) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4508228 | 0.69 | JAK1 (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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-114163475-A | Catalyst system containing pyrrole-based rigid structure multi-site ligand, preparation method and application | 浙江智英石化技术有限公司 | 2022-03-11 | — | — | CN | disclosed |