Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.48 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28327837 | 0.85 | ALDH1A1 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL26199223 | 0.85 | ALDH1A1 (0.51) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL8115616 | 0.84 | CYP2D6 (0.57) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL3805489 | 0.84 | CYP2D6 (0.57) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL2541503 | 0.83 | CACNA2D1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL17154911 | 0.82 | MBTD1 (0.46) | MBTD1L3MBTL3ALDH1A1NPC1HTT | |
| SCHEMBL21821065 | 0.81 | NPC1 (0.48) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL210120 | 0.78 | CYP3A4 (0.61) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL3952065 | 0.78 | BACE1 (0.41) | BACE1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL688837 | 0.77 | GPR119 (0.59) | BACE1ALDH1A1MAPTGPR119LMNA |
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 |