Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 6/20 | 0.39 |
| ▸ | DHFR | P00374 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.35 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21229436 | 0.79 | SMPD3 (0.55) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL21229250 | 0.77 | NTRK1 (0.43) | SMPD3NTRK1JAK2NTRK3NTRK2 | |
| SCHEMBL21229251 | 0.73 | NTRK1 (0.45) | NTRK1JAK2NTRK3NTRK2 | |
| SCHEMBL16936008 | 0.73 | NTRK1 (0.43) | NTRK1JAK2ADORA2A | |
| SCHEMBL21229269 | 0.73 | NTRK1 (0.38) | NTRK1DHFRJAK2 | |
| SCHEMBL9034108 | 0.73 | MEN1 (0.46) | DHFRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16935987 | 0.72 | NTRK1 (0.48) | NTRK1JAK2NTRK3NTRK2 | |
| SCHEMBL16946746 | 0.72 | NTRK1 (0.48) | NTRK1JAK2NTRK3NTRK2MEN1 | |
| SCHEMBL21941222 | 0.71 | NTRK1 (0.53) | NTRK1JAK2 | |
| SCHEMBL9031198 | 0.71 | MEN1 (0.43) | DHFRPDE4APDE4BPDE4CPDE4D |
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-110156813-B | Heterocyclic compounds as TRK inhibitors | 北京诺诚健华医药科技有限公司 | 2023-07-25 | — | — | CN | disclosed |