Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 15/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13041959 | 0.78 | NTRK1 (0.37) | NTRK1TLR9TLR8TLR7 | |
| SCHEMBL12984352 | 0.78 | NTRK1 (0.41) | NTRK1 | |
| SCHEMBL28411802 | 0.77 | DDB1 (0.30) | — | |
| SCHEMBL30968079 | 0.77 | NTRK1 (0.36) | NTRK1TLR9TLR8TLR7 | |
| SCHEMBL19684530 | 0.77 | NTRK1 (0.40) | NTRK1 | |
| SCHEMBL16091256 | 0.77 | NTRK1 (0.36) | NTRK1TLR9TLR8TLR7 | |
| SCHEMBL27975444 | 0.77 | LRRK2 (0.42) | NTRK1TLR9TLR8TLR7 | |
| SCHEMBL11922157 | 0.74 | NTRK1 (0.37) | NTRK1 | |
| SCHEMBL14031125 | 0.74 | BRD4 (0.47) | BRD4HASPINNTRK1 | |
| SCHEMBL28811015 | 0.73 | NTRK1 (0.54) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023169453-A1 | HETEROAROMATIC RING-CONTAINING ALKYNYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-09-14 | — | — | WO | disclosed |
| WO-2021113492-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2021-06-10 | — | — | WO | disclosed |
| WO-2009143018-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2009-11-26 | — | — | WO | disclosed |