Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 12/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29839755 | 0.91 | F11 (0.40) | F11KLK1KLKB1CYP3A4NOTUM | |
| SCHEMBL27003504 | 0.91 | F11 (0.40) | F11KLK1KLKB1CYP3A4NOTUM | |
| SCHEMBL31174109 | 0.85 | F11 (0.37) | F11KLK1KLKB1CYP3A4NOTUM | |
| SCHEMBL29227916 | 0.84 | F11 (0.48) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30995017 | 0.84 | F11 (0.48) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL30995015 | 0.84 | F11 (0.48) | F11KLKB1CYP3A4F2F10 | |
| SCHEMBL16971771 | 0.83 | F11 (0.38) | F11KLK1KLKB1CYP3A4NOTUM | |
| SCHEMBL29227936 | 0.83 | F11 (0.41) | F11KLK1KLKB1CYP3A4NOTUM | |
| SCHEMBL30995051 | 0.83 | F11 (0.41) | F11KLK1KLKB1CYP3A4NOTUM | |
| SCHEMBL30590414 | 0.79 | F11 (0.39) | F11KLK1KLKB1CYP3A4NOTUM |
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 |