Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1423651 | 0.98 | HTR2A (0.44) | HTR2AHTR2CLDHA | |
| SCHEMBL1423019 | 0.93 | HTR2A (0.40) | HTR2AHTR2CLDHA | |
| SCHEMBL16794173 | 0.83 | HTR2A (0.44) | HTR2AHTR2CLDHA | |
| SCHEMBL31389508 | 0.81 | ALDH1A1 (0.42) | HTR2AHTR2CLDHA | |
| SCHEMBL25485602 | 0.79 | HTR2A (0.44) | HTR2AHTR2CLDHA | |
| SCHEMBL18377472 | 0.79 | POLB (0.46) | HTR2AHTR2CLDHA | |
| SCHEMBL22275219 | 0.79 | ALDH1A1 (0.43) | HTR2AHTR2CLDHA | |
| SCHEMBL6379433 | 0.77 | NPC1 (0.44) | HTR2AHTR2C | |
| SCHEMBL6381168 | 0.77 | CYP1A2 (0.44) | — | |
| Potassium Ion SCHEMBL5123542 | 0.76 | HTR2A (0.39) | HTR2AHTR2CLDHA |
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 |
|---|---|---|---|---|---|---|---|
| CN-112204036-B | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2022-12-27 | — | — | CN | disclosed |
| CN-112204036-A | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2021-01-08 | — | — | CN | disclosed |