Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | RAD52 | P43351 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | JUN | P05412 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25241696 | 0.86 | SYK (0.38) | ALDH1A1HSD17B10KDM4EALOX15HCRTR1 | |
| SCHEMBL31140700 | 0.86 | SYK (0.38) | ALDH1A1HSD17B10KDM4EALOX15HCRTR1 | |
| SCHEMBL25288509 | 0.85 | SYK (0.46) | HCRTR1HCRTR2SYK | |
| SCHEMBL31140646 | 0.85 | SYK (0.46) | HCRTR1HCRTR2SYK | |
| SCHEMBL25239216 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10POLBRAD52KMT2A | |
| SCHEMBL31140705 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10POLBRAD52KMT2A | |
| SCHEMBL25284311 | 0.76 | KDM4E (0.49) | ALDH1A1HSD17B10POLBRAD52KMT2A | |
| SCHEMBL5071189 | 0.73 | KDM4E (0.64) | ALDH1A1HSD17B10POLBRAD52HSP90AA1 | |
| SCHEMBL6984025 | 0.70 | KDM5B (0.44) | ALDH1A1HSD17B10POLBJUNNFKB1 | |
| SCHEMBL6982223 | 0.67 | CYP1A2 (0.50) | ALDH1A1POLBKMT2AKDM4ESMN1; SMN2 |
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-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 |
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |