Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 9/20 | 1.00 |
| ▸ | ELANE | P08246 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.63 |
| ▸ | PIM1 | P11309 | 2/20 | 0.63 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.63 |
| ▸ | GMNN | O75496 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL30940070 | 0.85 | ACLY (0.73) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL12304029 | 0.84 | ELANE (0.85) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL29032857 | 0.83 | ACLY (0.70) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL30276367 | 0.82 | ACLY (0.69) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL28421429 | 0.82 | ACLY (0.69) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL27865564 | 0.81 | ACLY (0.70) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL4743858 | 0.81 | ACLY (1.00) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL38662862 | 0.81 | ACLY (1.00) | ACLYELANEALDH1A1MAPTMEN1 | |
| SCHEMBL27879750 | 0.79 | ACLY (0.67) | ACLYELANEALDH1A1MAPTMEN1 | |
| Emodin SCHEMBL177689 | 0.78 | ELANE (1.00) | ACLYELANEALDH1A1MAPTMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116172994-B | Application of anthraquinone derivative in preparation of anti-pancreatitis medicine | 四川大学华西医院 | 2023-07-04 | — | — | CN | disclosed |
| CN-116172994-A | Application of anthraquinone derivative in preparation of anti-pancreatitis medicine | 四川大学华西医院 | 2023-05-30 | — | — | CN | disclosed |
| CN-111320541-B | Compound for preventing and treating viral diseases and application thereof | 四川大学华西医院 | 2023-05-26 | — | — | CN | disclosed |
| CN-113546083-B | Pharmaceutical composition for treating pneumonia | 四川大学华西医院 | 2023-03-28 | — | — | CN | disclosed |
| CN-113546067-B | Anthraquinone derivatives with antiviral effect | 四川大学华西医院 | 2023-03-07 | — | — | CN | disclosed |
| CN-113546083-A | Pharmaceutical composition for treating pneumonia | 四川大学华西医院 | 2021-10-26 | — | — | CN | disclosed |
| CN-111320541-A | Compound for preventing and treating virus diseases and application thereof | 四川大学华西医院 | 2020-06-23 | — | — | CN | disclosed |
| CN-102391095-B | Emodin derivative and application thereof | WESTERN CHINA HOSPITAL SCU | 2013-10-30 | — | — | CN | disclosed |
| CN-102391095-A | Emodin derivative and application thereof | WESTERN CHINA HOSPITAL SCU | 2012-03-28 | — | — | CN | disclosed |