Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 5/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.34 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29088983 | 0.91 | NPC1 (0.40) | NTRK1ALDH1A1MAPTKDM4ENTRK3 | |
| SCHEMBL29088901 | 0.89 | NTRK1 (0.38) | NTRK1ALDH1A1KDM4ENTRK3NTRK2 | |
| SCHEMBL29088906 | 0.87 | SMPD3 (0.42) | NTRK1NTRK3NTRK2PDE4APDE4B | |
| SCHEMBL29088980 | 0.81 | NTRK1 (0.42) | NTRK1ALDH1A1MAPTNTRK3NTRK2 | |
| SCHEMBL29088974 | 0.81 | NTRK1 (0.40) | NTRK1ALDH1A1MAPTNTRK3NTRK2 | |
| SCHEMBL29088907 | 0.77 | SMPD3 (0.44) | NTRK1NTRK3NTRK2 | |
| SCHEMBL21229250 | 0.71 | NTRK1 (0.43) | NTRK1NTRK3NTRK2 | |
| SCHEMBL29088916 | 0.71 | SMPD3 (0.46) | NTRK1NTRK3NTRK2 | |
| SCHEMBL29511265 | 0.71 | NTRK1 (0.49) | NTRK1ALDH1A1MAPTKDM4ENTRK3 | |
| SCHEMBL30092502 | 0.70 | NTRK1 (0.48) | NTRK1ALDH1A1MAPTKDM4ENTRK3 |
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 |