Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | F11 | P03951 | 16/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 12/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL31174046 | 0.91 | NOTUM (0.43) | NOTUMF11KLKB1CYP3A4KCNH2 | |
| SCHEMBL31174045 | 0.86 | F11 (0.40) | NOTUMF11KLKB1CYP3A4 | |
| SCHEMBL30994987 | 0.86 | F11 (0.40) | NOTUMF11KLKB1CYP3A4 | |
| SCHEMBL30995046 | 0.81 | F11 (0.41) | NOTUMF11KLKB1CYP3A4KCNH2 | |
| SCHEMBL28360405 | 0.79 | F11 (0.36) | NOTUMF11KLKB1CYP3A4 | |
| SCHEMBL30995016 | 0.78 | NOTUM (0.41) | NOTUMF11KLKB1CYP3A4KCNH2 | |
| SCHEMBL31174070 | 0.78 | F11 (0.40) | NOTUMF11KLKB1CYP3A4 | |
| SCHEMBL30995025 | 0.76 | NOTUM (0.39) | NOTUMF11KLKB1KCNH2 | |
| SCHEMBL30995065 | 0.75 | NOTUM (0.43) | NOTUMF11KLKB1CYP3A4KCNH2 | |
| SCHEMBL31174048 | 0.74 | F11 (0.38) | F11KLKB1CYP3A4 |
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 |