Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.36 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5906668 | 0.85 | TSHR (0.43) | TSHRNPSR1MAPK1GAAADORA3 | |
| SCHEMBL29255387 | 0.80 | TSHR (0.41) | TSHRNPSR1MAPK1GAAADORA3 | |
| SCHEMBL21166073 | 0.79 | TSHR (0.46) | TSHRNPSR1MAPK1GAAADORA3 | |
| SCHEMBL26659285 | 0.78 | NPSR1 (0.44) | TSHRNPSR1MAPK1NPC1RAB9A | |
| SCHEMBL17777936 | 0.77 | TSHR (0.43) | TSHRNPSR1MAPK1GAAADORA3 | |
| SCHEMBL2671067 | 0.77 | TSHR (0.43) | TSHRNPSR1MAPK1GAAADORA3 | |
| SCHEMBL17649004 | 0.76 | CYP1A2 (0.38) | TSHRNPSR1MAPK1GAAADORA3 | |
| SCHEMBL29255466 | 0.76 | TSHR (0.40) | TSHRNPSR1MAPK1GAAADORA3 | |
| SCHEMBL20477220 | 0.76 | ALDH1A1 (0.54) | TSHRNPSR1MAPK1NPC1RAB9A | |
| SCHEMBL31352188 | 0.75 | TSHR (0.42) | TSHRNPSR1MAPK1GAAADORA3 |
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-118307564-A | Nitrogen-containing heterocyclic compound, and preparation method and application thereof | 深圳信立泰药业股份有限公司 | 2024-07-09 | — | — | CN | disclosed |