Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 2/20 | 0.32 |
| ▸ | DDO | Q99489 | 2/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1046207 | 0.71 | AHR (0.40) | CA12CA9MEN1KMT2AGAA | |
| SCHEMBL2008963 | 0.71 | — | — | |
| SCHEMBL5757118 | 0.71 | ALDH1A1 (0.52) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL276979 | 0.71 | MEN1 (0.33) | MEN1KMT2AMAPT | |
| SCHEMBL3819753 | 0.71 | — | — | |
| SCHEMBL23468415 | 0.71 | NOS1 (0.38) | TYMS | |
| Bromide SCHEMBL8507879 | 0.70 | CYP1A2 (0.50) | CA12CA9MEN1KMT2ARAB9A | |
| Hydrochloric Acid SCHEMBL27934211 | 0.70 | CYP1A2 (0.50) | CA12CA9MEN1KMT2ARAB9A | |
| SCHEMBL31257785 | 0.69 | ALDH1A1 (0.43) | CA12CA9CES2CES1MEN1 | |
| SCHEMBL29418933 | 0.69 | ALDH1A1 (0.53) | MEN1KMT2ANPC1RAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |