Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 3/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 3/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | 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 | 0.96 | NPC1 (0.40) | NTRK1NPC1MAPK1HTTSMN1; SMN2 | |
| SCHEMBL29088904 | 0.89 | NTRK1 (0.37) | NTRK1KDM4ENTRK3NTRK2S1PR4 | |
| SCHEMBL29088974 | 0.87 | NTRK1 (0.40) | NTRK1NPC1MAPK1HTTSMN1; SMN2 | |
| SCHEMBL29088980 | 0.84 | NTRK1 (0.42) | NTRK1NTRK3NTRK2ALDH1A1CCNT1 | |
| SCHEMBL29088907 | 0.82 | SMPD3 (0.44) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL16936085 | 0.78 | NTRK1 (0.45) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL29088906 | 0.75 | SMPD3 (0.42) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL21229250 | 0.73 | NTRK1 (0.43) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL21229251 | 0.72 | NTRK1 (0.45) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL22660234 | 0.70 | KDM4E (0.48) | NPC1KDM4EGAAALDH1A1 |
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 |