Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 12/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL30666722 | 0.89 | HTR1A (0.49) | HTR1ACYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL30666876 | 0.85 | DRD2 (0.40) | HTR1AMTNR1AMTNR1BDRD1HTR2A | |
| SCHEMBL30666847 | 0.78 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL30667077 | 0.72 | HTR1A (0.36) | HTR1A | |
| SCHEMBL30666589 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL22815741 | 0.72 | HTR1A (0.36) | HTR1A | |
| SCHEMBL14785144 | 0.72 | TRPM5 (0.36) | HTR2A | |
| SCHEMBL30082461 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL15858421 | 0.69 | HTR1A (0.46) | HTR1ACYP3A4MTNR1AKDM4EALDH1A1 | |
| SCHEMBL9311596 | 0.69 | MTNR1A (0.42) | HTR1ACYP3A4MTNR1AKDM4EALDH1A1 |
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-116940552-A | Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors | 法国施维雅药厂 | 2023-10-24 | — | — | CN | disclosed |