Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3598433 | 0.98 | CES2 (0.41) | ALDH1A1KDM4ECES2CES1HPGD | |
| SCHEMBL28247066 | 0.98 | CES2 (0.41) | ALDH1A1KDM4ECES2CES1HPGD | |
| SCHEMBL23113665 | 0.96 | ABAT (0.39) | ALDH1A1KDM4ECES2CES1HPGD | |
| SCHEMBL22975387 | 0.96 | ABAT (0.39) | ALDH1A1KDM4ECES2CES1HPGD | |
| SCHEMBL4617510 | 0.90 | ABAT (0.41) | ALDH1A1KDM4ECES2CES1ABAT | |
| SCHEMBL28247057 | 0.83 | CES2 (0.42) | ALDH1A1KDM4ECES2CES1HPGD | |
| SCHEMBL28247064 | 0.83 | TSHR (0.41) | ALDH1A1CES2CES1HPGDABAT | |
| SCHEMBL3598427 | 0.82 | CES2 (0.41) | ALDH1A1KDM4ECES2CES1HPGD | |
| SCHEMBL3598429 | 0.82 | CES2 (0.41) | ALDH1A1KDM4ECES2CES1HPGD | |
| SCHEMBL16731942 | 0.81 | TSHR (0.39) | ALDH1A1KDM4ECES2CES1HPGD |
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 |