Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.57 |
| ▸ | RELA | Q04206 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30734352 | 1.00 | ALDH1A1 (0.57) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL22950668 | 1.00 | ALDH1A1 (0.57) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL15487095 | 0.86 | CYP2A6 (0.54) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL15487094 | 0.86 | CYP2A6 (0.54) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL29827249 | 0.84 | TUBB4A (0.56) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL22950695 | 0.84 | TUBB4A (0.56) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL30734329 | 0.84 | TUBB4A (0.56) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL22949924 | 0.84 | TUBB4A (0.53) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL28984301 | 0.84 | TUBB4A (0.53) | ALDH1A1KMT2AMAPTHPGDNPC1 | |
| SCHEMBL30734302 | 0.84 | TUBB4A (0.53) | ALDH1A1KMT2AMAPTHPGDNPC1 |
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-110526854-B | Alpha, beta-unsaturated ketone derivative, preparation method and application thereof as medicine | 宁夏医科大学 | 2023-12-15 | — | — | CN | disclosed |