Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 17/20 | 0.43 |
| ▸ | JAK2 | O60674 | 9/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | NTRK3 | Q16288 | 5/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 5/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16936085 | 0.91 | NTRK1 (0.45) | NTRK1JAK2IRAK4NTRK3NTRK2 | |
| SCHEMBL21229251 | 0.89 | NTRK1 (0.45) | NTRK1JAK2IRAK4NTRK3NTRK2 | |
| SCHEMBL16936088 | 0.79 | NTRK1 (0.44) | NTRK1JAK2 | |
| SCHEMBL29088907 | 0.79 | SMPD3 (0.44) | NTRK1JAK2NTRK3NTRK2SMPD3 | |
| SCHEMBL16936008 | 0.77 | NTRK1 (0.43) | NTRK1JAK2 | |
| SCHEMBL29088906 | 0.77 | SMPD3 (0.42) | NTRK1JAK2NTRK3NTRK2SMPD3 | |
| SCHEMBL21229318 | 0.76 | NTRK1 (0.38) | NTRK1JAK2NTRK3NTRK2 | |
| SCHEMBL16946723 | 0.76 | NTRK1 (0.50) | NTRK1JAK2NTRK3NTRK2SMPD3 | |
| SCHEMBL16935968 | 0.76 | TGFBR1 (0.40) | NTRK1JAK2IRAK4NTRK3NTRK2 | |
| SCHEMBL21941222 | 0.75 | NTRK1 (0.53) | NTRK1JAK2IRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019149131-A1 | COMPOUND HAVING MACROCYCLIC MOLECULAR STRUCTURE AND USE THEREOF | 上海吉倍生物技术有限公司 | 2019-08-08 | — | — | WO | disclosed |