Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KAT7 | O95251 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30877147 | 0.92 | CHRM1 (0.34) | SMN1; SMN2ALDH1A1TSHRKAT7CHRM1 | |
| SCHEMBL370948 | 0.76 | NOTUM (0.46) | ALDH1A1KMT2AGAAMAPTMEN1 | |
| SCHEMBL15106549 | 0.68 | CHRM1 (0.41) | CHRM1CNR1HDAC4 | |
| SCHEMBL15106553 | 0.68 | CHRM1 (0.41) | CHRM1CNR1HDAC4 | |
| SCHEMBL14392512 | 0.66 | LMNA (0.59) | ALDH1A1KMT2AMEN1CYP1A2CYP2C19 | |
| SCHEMBL23329154 | 0.65 | CD38 (0.54) | ALDH1A1TSHRKAT7RAB9ACNR1 | |
| SCHEMBL4886377 | 0.65 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1TSHRRAB9AACKR3 | |
| SCHEMBL6617905 | 0.65 | HTT (0.44) | SMN1; SMN2ALDH1A1TSHRRAB9AMAPT | |
| SCHEMBL529370 | 0.65 | EPHX1 (0.67) | SMN1; SMN2ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL4017458 | 0.65 | EPHX1 (0.67) | SMN1; SMN2ALDH1A1RAB9AGAAMAPT |
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 |