Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | PRCP | P42785 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL24157288 | 1.00 | ESR1 (0.58) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| SCHEMBL30078304 | 1.00 | ESR1 (0.58) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| SCHEMBL30877914 | 1.00 | ESR1 (0.58) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| SCHEMBL54982 | 1.00 | ESR1 (0.58) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| SCHEMBL28378542 | 1.00 | ESR1 (0.58) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL7989528 | 0.97 | ESR1 (0.56) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL8967959 | 0.97 | ESR1 (0.56) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| SCHEMBL1515174 | 0.97 | ESR1 (0.56) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| Hydrogen Peroxide SCHEMBL2349581 | 0.97 | ESR1 (0.62) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL8137073 | 0.97 | ESR1 (0.56) | ESR1ESR2OPRM1ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024088189-A1 | MACROCYCLIC COMPOUND AS CDK9 INHIBITOR AND USE THEREOF | 科辉智药生物科技（无锡）有限公司 | 2024-05-02 | — | — | WO | disclosed |