Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KAT7 | O95251 | 1/20 | 0.33 |
| ▸ | MLLT3 | P42568 | 1/20 | 0.32 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.32 |
| ▸ | ERCC4 | Q92889 | 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 | |
|---|---|---|---|---|
| SCHEMBL30877154 | 0.92 | SMN1; SMN2 (0.38) | CHRM1ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL370948 | 0.72 | NOTUM (0.46) | ALDH1A1GAAMAPTKMT2AMAPK1 | |
| SCHEMBL15106549 | 0.64 | CHRM1 (0.41) | CHRM1HDAC4HRH3 | |
| SCHEMBL6617905 | 0.62 | HTT (0.44) | ALDH1A1MAPTSMN1; SMN2TSHR | |
| SCHEMBL4886377 | 0.62 | SMN1; SMN2 (0.51) | ALDH1A1KMT2ASMN1; SMN2TSHRACKR3 | |
| SCHEMBL14392512 | 0.60 | LMNA (0.59) | ALDH1A1KMT2ACXCR4 | |
| SCHEMBL6617329 | 0.60 | BCHE (0.42) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL2575436 | 0.60 | ADORA2A (0.42) | CHRM1ALDH1A1HDAC4ADORA2ATSHR | |
| SCHEMBL374902 | 0.59 | — | — | |
| SCHEMBL28978658 | 0.59 | EPHX1 (0.43) | ALDH1A1GAAMAPTKMT2ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117964628-A | Macrocyclic compounds as CDK9 inhibitors and application thereof | 科辉智药生物科技(深圳)有限公司 | 2024-05-03 | — | — | CN | disclosed |
| 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 |