Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 4/20 | 0.45 |
| ▸ | IDO1 | P14902 | 3/20 | 0.45 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | METAP2 | P50579 | 2/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | MASP2 | O00187 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29209798 | 0.81 | TRPA1 (0.39) | TDO2IDO1NOS1METAP2TRPA1 | |
| SCHEMBL29209720 | 0.79 | TDO2 (0.45) | TDO2IDO1NOS1DYRK1ATRPA1 | |
| SCHEMBL11577531 | 0.74 | NOS1 (0.53) | TDO2IDO1NOS1METAP2CSNK2A1 | |
| SCHEMBL25115550 | 0.72 | TDO2 (0.42) | TDO2IDO1NOS1METAP2CSNK2A1 | |
| SCHEMBL31358022 | 0.71 | NOS1 (0.52) | IDO1NOS1TRPA1KDM4EMEN1 | |
| SCHEMBL758690 | 0.71 | NOS1 (0.46) | TDO2IDO1NOS1METAP2CSNK2A1 | |
| SCHEMBL31472072 | 0.71 | NOS1 (0.46) | TDO2IDO1NOS1METAP2CSNK2A1 | |
| SCHEMBL3601695 | 0.71 | NOS1 (0.50) | TDO2IDO1NOS1METAP2CSNK2A1 | |
| SCHEMBL766959 | 0.71 | NOS1 (0.46) | TDO2IDO1NOS1METAP2CSNK2A1 | |
| SCHEMBL1145088 | 0.71 | NOS1 (0.46) | TDO2IDO1NOS1METAP2CSNK2A1 |
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-108467386-B | Fused heteroaryl substituted 1,2, 4-triazine-3-amine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-11-17 | — | — | CN | disclosed |