Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL29283522 | 1.00 | ALDH1A1 (0.48) | ALDH1A1PKMLMNAAURKBPPARA | |
| SCHEMBL4536717 | 0.83 | LMNA (0.50) | ALDH1A1PKMLMNACYP2D6L3MBTL1 | |
| SCHEMBL28521355 | 0.83 | SMN1; SMN2 (0.52) | ALDH1A1PKMLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL6955616 | 0.79 | POLB (0.41) | CYP2D6SRCSMN1; SMN2L3MBTL1SLC6A2 | |
| SCHEMBL11517389 | 0.78 | RXFP1 (0.50) | ALDH1A1LMNAPPARAPPARGSMN1; SMN2 | |
| SCHEMBL11601196 | 0.78 | POLB (0.40) | ALDH1A1LMNASMN1; SMN2L3MBTL1SLC6A2 | |
| SCHEMBL935459 | 0.78 | ALDH1A1 (0.42) | ALDH1A1PKMLMNAAURKBPPARA | |
| SCHEMBL29283533 | 0.76 | ALDH1A1 (0.49) | ALDH1A1PKMLMNAAURKBPPARA | |
| SCHEMBL1565683 | 0.75 | LMNA (0.56) | ALDH1A1PKMLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL29283515 | 0.75 | LMNA (0.56) | ALDH1A1PKMLMNASMN1; SMN2L3MBTL1 |
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-118125950-A | Chiral alpha-amino acid derivative and preparation method and application thereof | 四川大学 | 2024-06-04 | — | — | CN | disclosed |
| CN-112472699-A | Combination methods for improving the therapeutic benefit of bisantrene and derivatives | 种族肿瘤学公司 | 2021-03-12 | — | — | CN | disclosed |