Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.66 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.66 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11422597 | 0.83 | KCNH2 (0.59) | KCNH2HRH3ATMMCHR1TP53 | |
| SCHEMBL30556449 | 0.81 | HRH3 (0.68) | KCNH2HRH3CHRM2CHRM3 | |
| SCHEMBL9547525 | 0.76 | ATM (0.66) | KCNH2HRH3ATMMCHR1TP53 | |
| Hydrochloric Acid SCHEMBL31108133 | 0.75 | CHRM2 (0.54) | KCNH2HRH3CHRM2CHRM3ALDH1A1 | |
| SCHEMBL27568150 | 0.75 | KCNH2 (0.60) | KCNH2HRH3CHRM2CHRM3ATM | |
| SCHEMBL14141312 | 0.74 | KCNH2 (0.53) | KCNH2HRH3ATMMCHR1TP53 | |
| SCHEMBL14167933 | 0.74 | KCNH2 (0.50) | KCNH2HRH3ATMMCHR1TP53 | |
| SCHEMBL12614459 | 0.72 | CHRM3 (0.52) | KCNH2HRH3CHRM2CHRM3NPC1 | |
| SCHEMBL14037413 | 0.71 | KCNH2 (0.59) | KCNH2HRH3CHRM2CHRM3ATM | |
| SCHEMBL13801287 | 0.71 | KCNH2 (0.59) | KCNH2HRH3CHRM2CHRM3ATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024222726-A1 | DEGRADATION AGENT FOR CYCLIN-DEPENDENT KINASE (CDK) 12/13, COMPOSITION AND USE THEREOF | 浙江大学 | 2024-10-31 | — | — | WO | disclosed |
| CN-116675731-A | Small molecule conjugate of targeted cyclin-dependent kinase 12/13 and application thereof | 浙江大学 | 2023-09-01 | — | — | CN | disclosed |