Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 12/20 | 0.39 |
| ▸ | NTRK3 | Q16288 | 9/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 9/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL29088916 | 0.85 | SMPD3 (0.46) | SMPD3NTRK1NTRK3NTRK2SLC6A2 | |
| SCHEMBL29088907 | 0.83 | SMPD3 (0.44) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL21229436 | 0.81 | SMPD3 (0.55) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL29766744 | 0.81 | SMPD3 (0.58) | SMPD3NTRK1NTRK3NTRK2 | |
| SCHEMBL29088906 | 0.79 | SMPD3 (0.42) | SMPD3NTRK1NTRK3NTRK2MEN1 | |
| SCHEMBL16936085 | 0.75 | NTRK1 (0.45) | NTRK1NTRK3NTRK2PTPN1 | |
| SCHEMBL16946723 | 0.74 | NTRK1 (0.50) | SMPD3NTRK1NTRK3NTRK2PTPN1 | |
| SCHEMBL21941193 | 0.73 | NTRK1 (0.39) | NTRK1NTRK3NTRK2 | |
| SCHEMBL19614122 | 0.73 | NTRK1 (0.49) | SMPD3NTRK1NTRK3NTRK2PTPN1 | |
| SCHEMBL21229250 | 0.73 | NTRK1 (0.43) | SMPD3NTRK1NTRK3NTRK2 |
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 |