Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30250167 | 0.98 | AKR1C1 (0.47) | AKR1C1HPGDESR1ESR2HDAC4 | |
| SCHEMBL9682242 | 0.85 | MEN1 (0.48) | AKR1C1MEN1KMT2ACYP2C9LMNA | |
| SCHEMBL30250378 | 0.85 | AKR1C1 (0.44) | AKR1C1HPGDESR1ESR2HDAC4 | |
| SCHEMBL5330943 | 0.82 | ATM (0.39) | AKR1C1HPGDHDAC4MEN1KMT2A | |
| Hydrogen Peroxide SCHEMBL2349581 | 0.81 | ESR1 (0.62) | AKR1C1ESR1ESR2HDAC4MEN1 | |
| SCHEMBL30249996 | 0.81 | ALDH1A1 (0.46) | AKR1C1HPGDHDAC4ALDH1A1L3MBTL1 | |
| SCHEMBL31107800 | 0.79 | MGLL (0.51) | MEN1KMT2ALMNAALDH1A1HTT | |
| SCHEMBL24157288 | 0.79 | ESR1 (0.58) | ESR1ESR2MEN1KMT2ACYP2C9 | |
| SCHEMBL30877902 | 0.79 | ESR1 (0.58) | ESR1ESR2MEN1KMT2ACYP2C9 | |
| SCHEMBL30877914 | 0.79 | ESR1 (0.58) | ESR1ESR2MEN1KMT2ACYP2C9 |
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 |