Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8369178 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| SCHEMBL8370378 | 0.74 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| SCHEMBL4337336 | 0.72 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| SCHEMBL4337340 | 0.72 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| SCHEMBL9055964 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| SCHEMBL5467633 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| SCHEMBL14117297 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| Hydrochloric Acid SCHEMBL12505566 | 0.70 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| Hydrochloric Acid SCHEMBL353579 | 0.70 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTKDM1ASRD5A2 | |
| SCHEMBL2815223 | 0.69 | ESR1 (0.51) | MAP4K4PDE5A |
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 |