Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 8/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 6/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 6/20 | 0.41 |
| ▸ | TYK2 | P29597 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23501007 | 1.00 | AAK1 (0.42) | AAK1NTRK1TGFBR1NTRK3NTRK2 | |
| SCHEMBL29989315 | 0.89 | TGFBR1 (0.48) | AAK1NTRK1TGFBR1NTRK3NTRK2 | |
| SCHEMBL23500995 | 0.89 | TGFBR1 (0.48) | AAK1NTRK1TGFBR1NTRK3NTRK2 | |
| SCHEMBL23500992 | 0.89 | TGFBR1 (0.48) | AAK1NTRK1TGFBR1NTRK3NTRK2 | |
| SCHEMBL23501049 | 0.82 | SOS1 (0.41) | AAK1TGFBR1TYK2PDE4DIRAK4 | |
| SCHEMBL23501051 | 0.82 | SOS1 (0.41) | AAK1TGFBR1TYK2PDE4DIRAK4 | |
| SCHEMBL17387402 | 0.78 | NTRK1 (0.49) | NTRK1TGFBR1NTRK3NTRK2 | |
| SCHEMBL23500963 | 0.78 | NTRK1 (0.43) | NTRK1TGFBR1TYK2PDE4D | |
| SCHEMBL23084134 | 0.76 | NTRK1 (0.55) | NTRK1NTRK3NTRK2 | |
| SCHEMBL29989886 | 0.76 | NTRK1 (0.40) | NTRK1TYK2PDE4DIRAK4IRAK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4074715-A1 | FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF | Scinnohub Pharmaceutical Co., Ltd (CN) | 2022-10-19 | — | — | EP | disclosed |
| WO-2021115401-A1 | FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |