Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL23959337 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30422577 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9935900 | 0.85 | ALDH1A1 (0.75) | ALDH1A1CA1CA2CA9L3MBTL1 | |
| SCHEMBL24174019 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23930650 | 0.81 | LMNA (0.67) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL30422491 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23959338 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30261158 | 0.81 | LMNA (0.67) | ALDH1A1CYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL12773610 | 0.79 | SMN1; SMN2 (0.75) | ALDH1A1CA1CA2CA9PTPN1 | |
| Hydrochloric Acid SCHEMBL10925835 | 0.78 | CASP3 (0.58) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-113264978-B | Novel molecular targeting anti-tumor aza steroid derivative based on lipotoxicity and preparation method and application thereof | 重庆医科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-113264978-A | Novel molecular targeting anti-tumor aza steroid derivative based on lipotoxicity, preparation and application thereof | 重庆医科大学 | 2021-08-17 | — | — | CN | disclosed |