Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 10/20 | 0.55 |
| ▸ | NTRK1 | P04629 | 9/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 6/20 | 0.38 |
| ▸ | NTRK2 | Q16620 | 6/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29766744 | 0.91 | SMPD3 (0.58) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL16946723 | 0.84 | NTRK1 (0.50) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL18352547 | 0.84 | NTRK1 (0.51) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL29088916 | 0.83 | SMPD3 (0.46) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL29088980 | 0.82 | NTRK1 (0.42) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL29088917 | 0.81 | SMPD3 (0.45) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL29088907 | 0.81 | SMPD3 (0.44) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL16935988 | 0.80 | NTRK1 (0.49) | NTRK1NTRK3NTRK2 | |
| SCHEMBL29511265 | 0.80 | NTRK1 (0.49) | NTRK1NTRK3NTRK2 | |
| SCHEMBL21229434 | 0.79 | NTRK1 (0.50) | NTRK1NTRK3NTRK2 |
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 |