Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.46 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.45 |
| ▸ | GLS | O94925 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL27177558 | 1.00 | ENPP2 (0.46) | ENPP2ERCC1ERCC4HDAC3HDAC1 | |
| SCHEMBL27177807 | 0.86 | HDAC1 (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL29698449 | 0.84 | ENPP2 (0.50) | ENPP2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL29698296 | 0.84 | NPC1 (0.49) | ENPP2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24498994 | 0.84 | ENPP2 (0.50) | ENPP2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24499084 | 0.84 | NPC1 (0.49) | ENPP2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24498987 | 0.83 | SMN1; SMN2 (0.54) | ENPP2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27177773 | 0.83 | ENPP2 (0.52) | ENPP2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24498310 | 0.82 | ENPP2 (0.51) | ENPP2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL29698411 | 0.82 | ENPP2 (0.51) | ENPP2HDAC3HDAC1HDAC2HDAC8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4255903-A1 | HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS | Eubulus Biotherapeutics Inc. (CN) | 2023-10-11 | — | — | EP | claimed |
| WO-2022117064-A1 | HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS | EUBULUS BIOTHERAPEUTICS INC. (CN) | 2022-06-09 | — | — | WO | claimed |
| CN-118076602-A | Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses | 嘉兴优博生物技术有限公司 | 2024-05-24 | — | — | CN | disclosed |
| EP-4255903-A1 | HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS | Eubulus Biotherapeutics Inc. (CN) | 2023-10-11 | — | — | EP | disclosed |
| WO-2022117064-A1 | HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS | EUBULUS BIOTHERAPEUTICS INC. (CN) | 2022-06-09 | — | — | WO | disclosed |