Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28327817 | 0.85 | KDM4E (0.50) | ALDH1A1GAAKDM4ELMNAKMT2A | |
| SCHEMBL22636373 | 0.84 | ALDH1A1 (0.64) | ALDH1A1GAAKDM4ELMNAKMT2A | |
| SCHEMBL29441244 | 0.84 | ALDH1A1 (0.64) | ALDH1A1GAAKDM4ELMNAKMT2A | |
| SCHEMBL450181 | 0.81 | ALDH1A1 (0.61) | ALDH1A1GAAKDM4ELMNAKMT2A | |
| SCHEMBL28327811 | 0.77 | HPGD (0.58) | ALDH1A1GAAKDM4EKMT2AMEN1 | |
| SCHEMBL1186560 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAKMT2AMEN1 | |
| SCHEMBL1184767 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAKMT2AMEN1 | |
| SCHEMBL5899451 | 0.76 | ALDH1A1 (0.67) | ALDH1A1GAAKDM4ELMNAL3MBTL1 | |
| SCHEMBL2474712 | 0.76 | ALDH1A1 (0.58) | ALDH1A1GAAKDM4ELMNAPOLB | |
| SCHEMBL22660771 | 0.75 | ALDH1A1 (0.68) | ALDH1A1GAAKDM4ELMNAKMT2A |
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-110506044-B | BRD4 inhibitor and preparation and application thereof | 中国科学院上海药物研究所 | 2022-07-05 | — | — | CN | disclosed |
| CN-110506044-A | A kind of BRD4 inhibitor and its preparation and application | SHANGHAI INST MATERIA MEDICA CAS | 2019-11-26 | — | — | CN | disclosed |