Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aus-131. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 7/20 | 0.79 |
| ▸ | ESR1 | P03372 | 6/20 | 0.79 |
| ▸ | TTR | P02766 | 1/20 | 0.79 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.60 |
| ▸ | ALOX15B | O15296 | 3/20 | 0.60 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Aus-131 SCHEMBL29005767 | 1.00 | ESR2 (0.79) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL29005768 | 1.00 | ESR2 (0.79) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL19861143 | 0.92 | ESR2 (0.83) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL31545730 | 0.92 | ESR2 (0.83) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL17679253 | 0.92 | ESR2 (0.83) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL4360255 | 0.89 | ESR2 (0.82) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL30720187 | 0.89 | ESR2 (0.82) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL30459494 | 0.89 | ESR2 (0.82) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL2002128 | 0.89 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL43648 | 0.89 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 |
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-116139125-A | Combination therapy | 梅制药公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-116113414-A | Combination therapy | 梅制药公司 | 2023-05-12 | — | — | CN | disclosed |