Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 4/20 | 0.42 |
| ▸ | ATAD2 | Q6PL18 | 4/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.40 |
| ▸ | PRKCI | P41743 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29863211 | 1.00 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2LMNAHTTBRD4 | |
| Hydrochloric Acid SCHEMBL23360671 | 0.99 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAHTTBRD4 | |
| Hydrochloric Acid SCHEMBL23360116 | 0.99 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAHTTBRD4 | |
| Hydrochloric Acid SCHEMBL23360114 | 0.99 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAHTTBRD4 | |
| SCHEMBL23360617 | 0.92 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAHTTBRD4 | |
| Hydrochloric Acid SCHEMBL23360416 | 0.91 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAHTTBRD4 | |
| Hydrochloric Acid SCHEMBL23359905 | 0.86 | CHEK2 (0.39) | BRD4ATAD2CHEK2PRKCICHEK1 | |
| Hydrochloric Acid SCHEMBL23360579 | 0.86 | CHEK2 (0.39) | BRD4ATAD2CHEK2PRKCICHEK1 | |
| Hydrochloric Acid SCHEMBL23359903 | 0.86 | CHEK2 (0.39) | BRD4ATAD2CHEK2PRKCICHEK1 | |
| SCHEMBL29862637 | 0.84 | CYP1A2 (0.43) | ALDH1A1LMNACHEK2CHEK1CYP1A2 |
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 |