Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 10/20 | 0.70 |
| ▸ | PIM1 | P11309 | 3/20 | 0.58 |
| ▸ | ELANE | P08246 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.57 |
| ▸ | GMNN | O75496 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL27879750 | 0.87 | ACLY (0.67) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL30276367 | 0.84 | ACLY (0.69) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL28421429 | 0.84 | ACLY (0.69) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL27848653 | 0.83 | ACLY (1.00) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL28395686 | 0.80 | ACLY (0.71) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL30097984 | 0.80 | ACLY (0.71) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL12304029 | 0.79 | ELANE (0.85) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL29032856 | 0.79 | MAPT (0.61) | ACLYPIM1ELANEMAPTALDH1A1 | |
| SCHEMBL13570040 | 0.79 | MAPT (0.72) | ACLYPIM1ELANEMAPTALDH1A1 | |
| Skyrin SCHEMBL2665352 | 0.76 | ACLY (0.75) | ACLYPIM1ELANEMAPTALDH1A1 |
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-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 |