Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 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 | |
|---|---|---|---|---|
| SCHEMBL28668263 | 1.00 | RORC (0.35) | RORCCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL24450006 | 0.78 | RORC (0.38) | RORCCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL16133709 | 0.76 | GABRA1 (0.35) | RORCP2RX3P2RX2GABRA1 | |
| SCHEMBL28650685 | 0.75 | THRB (0.43) | RORCCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL30083001 | 0.75 | THRB (0.43) | RORCCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL22959247 | 0.74 | PIK3R1 (0.35) | RORCP2RX3P2RX2GABRA1GABRB1 | |
| SCHEMBL29527128 | 0.74 | PIK3R1 (0.35) | RORCP2RX3P2RX2GABRA1GABRB1 | |
| SCHEMBL29526921 | 0.71 | RORC (0.35) | RORCCYP3A4LMNA | |
| SCHEMBL11890406 | 0.71 | TSHR (0.43) | RORCMAPK1P2RX3P2RX2LMNA | |
| SCHEMBL12089821 | 0.68 | SMN1; SMN2 (0.39) | RORCCYP3A4CYP2D6SLC6A2SLC6A4 |
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-113698388-B | 6-oxo-1, 6-dihydropyridine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |