Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 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 | |
|---|---|---|---|---|
| SCHEMBL22769987 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KMT2AAPPGAAHCAR3 | |
| SCHEMBL22770058 | 0.85 | AKR1C3 (0.44) | ALDH1A1KMT2AGAAMEN1MAPT | |
| SCHEMBL22770057 | 0.85 | AKR1C3 (0.44) | ALDH1A1KMT2AGAAMEN1MAPT | |
| SCHEMBL21247480 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1MAPTL3MBTL1 | |
| SCHEMBL21247481 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1MAPTL3MBTL1 | |
| SCHEMBL22769978 | 0.78 | ALDH1A1 (0.58) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL22770001 | 0.77 | KDM4E (0.43) | ALDH1A1KMT2AGAAMEN1MAPT | |
| SCHEMBL22770002 | 0.77 | KDM4E (0.43) | ALDH1A1KMT2AGAAMEN1MAPT | |
| SCHEMBL21911458 | 0.72 | ALDH1A1 (0.56) | ALDH1A1KMT2AAPPGAAHCAR3 | |
| SCHEMBL6226212 | 0.72 | ALDH1A1 (0.56) | ALDH1A1KMT2AAPPGAAHCAR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3750885-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2020-12-16 | — | — | EP | disclosed |
| CN-111683932-A | Compound with BET inhibition activity, preparation method and application thereof | 上海海和药物研究开发有限公司 | 2020-09-18 | — | — | CN | disclosed |