Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 2-Methylindole SCHEMBL29377448 | 0.98 | BRD4 (0.57) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL12420 | 0.98 | BRD4 (0.57) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL31025706 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL29226785 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL27901243 | 0.95 | AOC3 (0.56) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL28806610 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL6480418 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| SCHEMBL21284843 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL28139181 | 0.93 | BRD4 (0.53) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL27523440 | 0.93 | BRD4 (0.53) | BRD4AOC3CYP2A6KEAP1KDM4E |
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-115108532-B | Magnesium-based hydrogen storage material and preparation method thereof | 苏州清德氢能源科技有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-115108532-A | Magnesium-based hydrogen storage material and preparation method thereof | 苏州清德氢能源科技有限公司 | 2022-09-27 | — | — | CN | disclosed |