Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.42 |
| ▸ | GABRD | O14764 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.42 |
| ▸ | GABRE | P78334 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL241852 | 0.98 | KIF11 (0.49) | KIF11MAPK1MAPTLMNAHTT | |
| SCHEMBL29376743 | 0.98 | KIF11 (0.49) | KIF11MAPK1MAPTLMNAHTT | |
| Ammonia Solution, Strong SCHEMBL28918843 | 0.97 | KIF11 (0.47) | KIF11MAPK1MAPTLMNAHTT | |
| SCHEMBL27880326 | 0.90 | KIF11 (0.45) | KIF11MAPK1MAPTLMNAHTT | |
| SCHEMBL28398379 | 0.88 | TDO2 (0.43) | KIF11MAPK1MAPTLMNAHTT | |
| SCHEMBL22482014 | 0.86 | GABRA1 (0.47) | MAPK1MAPTLMNAHTTNPC1 | |
| SCHEMBL11499652 | 0.84 | MAPT (0.50) | KIF11MAPK1MAPTLMNAHTT | |
| Quinoline SCHEMBL27558601 | 0.83 | BCHE (0.42) | KIF11MAPK1MAPTLMNAHTT | |
| SCHEMBL28879427 | 0.82 | KIF11 (0.51) | KIF11MAPK1MAPTLMNAHTT | |
| SCHEMBL10936968 | 0.82 | KIF11 (0.46) | KIF11MAPK1MAPTLMNAHTT |
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 |