Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RAD52 | P43351 | 2/20 | 0.43 |
| ▸ | JUN | P05412 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25239216 | 1.00 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HSP90AA1KDM4ESMN1; SMN2 | |
| SCHEMBL25284311 | 0.86 | KDM4E (0.49) | ALDH1A1HSD17B10HSP90AA1KDM4ESMN1; SMN2 | |
| SCHEMBL11151946 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HSD17B10HSP90AA1KDM4ESMN1; SMN2 | |
| SCHEMBL5071189 | 0.83 | KDM4E (0.64) | ALDH1A1HSD17B10HSP90AA1KDM4ESMN1; SMN2 | |
| SCHEMBL13996893 | 0.80 | ATM (0.56) | ALDH1A1HSD17B10KDM4ESMN1; SMN2POLB | |
| SCHEMBL6984025 | 0.79 | KDM5B (0.44) | ALDH1A1HSD17B10KDM4ESMN1; SMN2POLB | |
| SCHEMBL25284302 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HSP90AA1KDM4ESMN1; SMN2 | |
| SCHEMBL2538924 | 0.76 | HSP90AA1 (0.67) | ALDH1A1HSD17B10HSP90AA1KDM4ESMN1; SMN2 | |
| SCHEMBL6982223 | 0.76 | CYP1A2 (0.50) | ALDH1A1KDM4ESMN1; SMN2POLBKMT2A | |
| SCHEMBL959574 | 0.75 | CSNK1D (0.54) | ALDH1A1HSP90AA1KDM4ESMN1; SMN2JUN |
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-118525018-A | Bialkyne compound and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-08-20 | — | — | CN | disclosed |