Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 6/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 11/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29839752 | 0.88 | F11 (0.40) | F11KLK1NOTUMKLKB1CYP3A4 | |
| SCHEMBL29839754 | 0.88 | F11 (0.40) | F11KLK1NOTUMKLKB1CYP3A4 | |
| SCHEMBL27003502 | 0.88 | F11 (0.40) | F11KLK1NOTUMKLKB1CYP3A4 | |
| SCHEMBL31174059 | 0.87 | TYMS (0.34) | F11KLK1NOTUMKLKB1TYMS | |
| SCHEMBL27228701 | 0.86 | F11 (0.39) | F11KLK1NOTUMKLKB1CYP3A4 | |
| SCHEMBL31174073 | 0.83 | F11 (0.40) | F11KLK1NOTUMARGABRA2 | |
| SCHEMBL24633487 | 0.83 | F11 (0.41) | F11KLK1KLKB1CYP3A4 | |
| SCHEMBL30995020 | 0.83 | F11 (0.41) | F11KLK1KLKB1CYP3A4 | |
| SCHEMBL31252533 | 0.82 | F11 (0.38) | F11KLK1NOTUMARGABRA2 | |
| SCHEMBL31174086 | 0.82 | NOTUM (0.38) | F11KLK1NOTUMARGABRA2 |
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-118852163-A | Macrocyclic compound containing heteroatoms, and preparation method and application thereof | 深圳信立泰药业股份有限公司 | 2024-10-29 | — | — | CN | disclosed |