Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | CES1 | P23141 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ASPH | Q12797 | 1/20 | 0.44 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.42 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | SELL | P14151 | 1/20 | 0.37 |
| ▸ | SELP | P16109 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3308958 | 1.00 | CES2 (0.52) | CES2CES1CYP1A2KDM4EASPH | |
| SCHEMBL30370785 | 0.86 | KDM4E (0.52) | CES2CES1CYP1A2KDM4EASPH | |
| SCHEMBL6620264 | 0.85 | CES2 (0.47) | CES2CES1CYP1A2KDM4EASPH | |
| Ammonia Solution, Strong SCHEMBL10951716 | 0.84 | CES2 (0.45) | CES2CES1CYP1A2KDM4EASPH | |
| SCHEMBL365563 | 0.83 | CES2 (0.47) | CES2CES1KDM4EASPHKDM8 | |
| SCHEMBL31258574 | 0.83 | CES2 (0.47) | CES2CES1KDM4EASPHKDM8 | |
| SCHEMBL7740389 | 0.82 | KDM4E (0.48) | CES2CES1CYP1A2KDM4EASPH | |
| SCHEMBL1100410 | 0.82 | CYP1A2 (0.44) | CES2CES1CYP1A2KDM4EASPH | |
| SCHEMBL241797 | 0.81 | CES2 (0.70) | CES2CES1CYP1A2KDM4EASPH | |
| SCHEMBL5468472 | 0.81 | CES2 (0.47) | CES2CES1KDM4EASPHKDM8 |
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-117321046-A | Indazole-based compounds and related methods of use | 阿维纳斯企业公司 | 2023-12-29 | — | — | CN | disclosed |