Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GGT1 | P19440 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL2797501 | 0.88 | ALDH1A1 (0.53) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 | |
| SCHEMBL9263634 | 0.83 | PTGS2 (0.49) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 | |
| SCHEMBL7815596 | 0.83 | IDO1 (0.55) | ALDH1A1KDM4EHPGDCYP1A2MAPT | |
| SCHEMBL6974420 | 0.83 | ELANE (0.51) | ALDH1A1LMNAMAPT | |
| SCHEMBL6665890 | 0.82 | PTGS2 (0.52) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 | |
| SCHEMBL16623989 | 0.81 | PTGS2 (0.50) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 | |
| SCHEMBL31112746 | 0.79 | PTGS2 (0.49) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 | |
| SCHEMBL7685111 | 0.79 | PTGS2 (0.49) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 | |
| SCHEMBL30997189 | 0.79 | PTGS2 (0.52) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 | |
| SCHEMBL248688 | 0.79 | PTGS2 (0.52) | ALDH1A1PTGS2KDM4EHSD17B10ESR1 |
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-108250187-B | Indole-1-carbonate compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2021-01-05 | — | — | CN | disclosed |