Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 6/20 | 0.65 |
| ▸ | CDK8 | P49336 | 6/20 | 0.65 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | PASK | Q96RG2 | 1/20 | 0.57 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.57 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.56 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.55 |
| ▸ | VNN1 | O95497 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | FASN | P49327 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29069447 | 0.88 | PTGER3 (0.55) | CCNCCDK8HTR2APASKCDK19 | |
| SCHEMBL23559657 | 0.88 | CCNC (0.63) | CCNCCDK8HTR2APASKCDK19 | |
| SCHEMBL30147566 | 0.88 | CCNC (0.63) | CCNCCDK8HTR2APASKCDK19 | |
| SCHEMBL20812685 | 0.84 | MAPT (0.56) | CCNCCDK8HTR2APASKCDK19 | |
| SCHEMBL29819532 | 0.82 | CDK8 (0.58) | CCNCCDK8PTGER3VNN1MAOB | |
| SCHEMBL20239415 | 0.82 | CDK8 (0.58) | CCNCCDK8PTGER3VNN1MAOB | |
| SCHEMBL1759304 | 0.82 | TNKS (0.52) | CCNCCDK8ACSS2PTGER3VNN1 | |
| SCHEMBL29794165 | 0.82 | TNKS (0.52) | CCNCCDK8ACSS2PTGER3VNN1 | |
| SCHEMBL4261983 | 0.81 | PDE1C (0.57) | CCNCCDK8PTGER3VNN1MAOB | |
| SCHEMBL29491497 | 0.81 | PDE1C (0.57) | CCNCCDK8PTGER3VNN1MAOB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |