Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | ACR | P10323 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28574738 | 0.87 | ESR1 (0.41) | TDP1L3MBTL1MAPTPOLBESR1 | |
| SCHEMBL28914430 | 0.87 | ESR1 (0.49) | TDP1L3MBTL1POLBESR1ESR2 | |
| SCHEMBL28580290 | 0.85 | KMT2A (0.47) | TDP1L3MBTL1MAPTPOLBESR1 | |
| SCHEMBL28588102 | 0.84 | KMT2A (0.41) | TDP1L3MBTL1MAPTPOLBESR1 | |
| SCHEMBL28569767 | 0.84 | ESR1 (0.47) | TDP1L3MBTL1MAPTPOLBESR1 | |
| SCHEMBL28563559 | 0.81 | CYP1A2 (0.41) | L3MBTL1ESR1MAOBMEN1KMT2A | |
| SCHEMBL28571730 | 0.81 | ALOX5 (0.48) | L3MBTL1MAPTPOLBMEN1KMT2A | |
| SCHEMBL28587204 | 0.79 | KMT2A (0.41) | TDP1L3MBTL1MAPTPOLBESR1 | |
| SCHEMBL28587202 | 0.79 | KMT2A (0.46) | TDP1MAPTPOLBESR1ESR2 | |
| SCHEMBL29255686 | 0.77 | KMT2A (0.45) | TDP1L3MBTL1MAPTPOLBMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979470-A | Methyl rupestonic acid derivative containing benzoyl and preparation method and application thereof | 中国科学院新疆理化技术研究所 | 2021-06-18 | — | — | CN | disclosed |