Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 5/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29862626 | 1.00 | CHEK2 (0.46) | CHEK2CHEK1MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL29862870 | 0.99 | CHEK2 (0.46) | CHEK2CHEK1MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL23359980 | 0.99 | CHEK2 (0.46) | CHEK2CHEK1MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL29863199 | 0.99 | CHEK2 (0.46) | CHEK2CHEK1MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL23360234 | 0.99 | CHEK2 (0.46) | CHEK2CHEK1MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL23359983 | 0.99 | CHEK2 (0.46) | CHEK2CHEK1MAOBHTR6MKNK1 | |
| Hydrochloric Acid SCHEMBL23359856 | 0.92 | CYP1A2 (0.46) | HTR6MKNK1CYP1A2LMNACYP3A4 | |
| Hydrochloric Acid SCHEMBL29862635 | 0.92 | CYP1A2 (0.46) | HTR6MKNK1CYP1A2LMNACYP3A4 | |
| SCHEMBL29862805 | 0.85 | HTR1A (0.54) | CHEK2CHEK1MKNK1MKNK2AXL | |
| Hydrochloric Acid SCHEMBL23360614 | 0.84 | HTR1A (0.53) | CHEK2CHEK1MAOBHTR6MKNK1 |
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-114867719-A | Pyrrolidine and piperidine compounds | 柳韩洋行 | 2022-08-05 | — | — | CN | disclosed |