Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 6/20 | 0.47 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30468456 | 1.00 | NTRK1 (0.47) | NTRK1BRD4KDM4EMEN1NPC1 | |
| SCHEMBL30468404 | 0.85 | PTK2 (0.51) | NTRK1PTK2BCL6SYK | |
| SCHEMBL29051852 | 0.85 | PTK2 (0.51) | NTRK1PTK2BCL6SYK | |
| SCHEMBL18758023 | 0.81 | BRD4 (0.63) | BRD4KDM4EMEN1NPC1LMNA | |
| SCHEMBL30306511 | 0.81 | BRD4 (0.63) | BRD4KDM4EMEN1NPC1LMNA | |
| SCHEMBL15849786 | 0.79 | NTRK1 (0.48) | NTRK1KDM4EMEN1LMNAMAPT | |
| SCHEMBL2514436 | 0.77 | NTRK1 (0.51) | NTRK1BCL6 | |
| SCHEMBL12209797 | 0.75 | NTRK1 (0.47) | NTRK1 | |
| SCHEMBL28713125 | 0.75 | NTRK1 (0.62) | NTRK1 | |
| SCHEMBL29392704 | 0.75 | NTRK1 (0.62) | NTRK1 |
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-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |