Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16694097 | 0.98 | TYR (0.38) | TYRCYP2C9CYP2D6HIF1AHTT | |
| SCHEMBL2557952 | 0.80 | — | — | |
| SCHEMBL29670088 | 0.77 | GABRA1 (0.30) | — | |
| SCHEMBL2550429 | 0.75 | LMNA (0.44) | CYP2C9CYP2D6HIF1AIDO1ADRB2 | |
| SCHEMBL29670251 | 0.75 | HDAC4 (0.39) | TYRHTTLMNAPTPN5KDM4E | |
| SCHEMBL16694101 | 0.74 | GABRA1 (0.31) | CYP2D6 | |
| SCHEMBL16866207 | 0.73 | MAPT (0.42) | HIF1AKDM4EMAPK1HPGD | |
| SCHEMBL16694196 | 0.72 | HDAC4 (0.40) | TYRHIF1AHTTLMNAPTPN5 | |
| SCHEMBL29590068 | 0.72 | HDAC4 (0.40) | TYRHIF1AHTTLMNAPTPN5 | |
| SCHEMBL3769642 | 0.72 | TYR (0.44) | TYRCYP2C9CYP2D6HIF1AHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022114117-A1 | PALLADIUM COMPLEX, COUPLING REACTION CATAYLST, AND METHOD FOR PRODUCING AROMATIC COMPOUND | エヌ・イーケムキャット株式会社 | 2022-06-02 | — | — | WO | disclosed |