Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 3/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | UBE2I | P63279 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.39 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29578142 | 0.81 | HTR7 (0.53) | HTR7CHRM1DRD2GRIN1GRIN2B | |
| SCHEMBL29578483 | 0.81 | CHRM1 (0.53) | HTR7CHRM1DRD2KCNH2GRIN1 | |
| SCHEMBL7063500 | 0.78 | HTR2C (0.58) | HTR7HTR2AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7832640 | 0.77 | HTR2C (0.57) | HTR7HTR2AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9095647 | 0.75 | DRD4 (0.60) | HTR7CHRM1DRD2CHRM5CHRM3 | |
| SCHEMBL11526850 | 0.75 | BMPR1B (0.48) | CHRM1CHRM5CHRM3MEN1CASP6 | |
| SCHEMBL10382216 | 0.75 | BCHE (0.50) | HTR7HTR2ACHRM1DRD2KCNH2 | |
| SCHEMBL9096134 | 0.74 | DRD2 (0.62) | HTR7HTR2ACHRM1DRD2CHRM5 | |
| SCHEMBL7824808 | 0.72 | MEN1 (0.42) | HTR7HTR2ACHRM1DRD2MEN1 | |
| SCHEMBL8146689 | 0.72 | BMPR1B (0.47) | HTR7HTR2ACHRM1MEN1CASP6 |
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-112538038-B | 2-indolone ERR alpha inverse agonist and pharmaceutical composition and application thereof | 暨南大学 | 2022-05-20 | — | — | CN | disclosed |