Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LIG1 | P18858 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 2/20 | 0.41 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 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 | |
|---|---|---|---|---|
| SCHEMBL30391813 | 0.87 | HPGD (0.50) | HTTSMN1; SMN2ALDH1A1LIG1MCHR1 | |
| SCHEMBL6108941 | 0.84 | MCHR1 (0.57) | HTTSMN1; SMN2ALDH1A1MCHR1CYP1A2 | |
| SCHEMBL31203044 | 0.77 | SMN1; SMN2 (0.74) | HTTSMN1; SMN2ALDH1A1MCHR1KDM4E | |
| SCHEMBL6109554 | 0.77 | MCHR1 (0.60) | HTTSMN1; SMN2ALDH1A1MCHR1KDM4E | |
| Alloclamide SCHEMBL872157 | 0.76 | MCHR1 (0.53) | SMN1; SMN2ALDH1A1MCHR1KDM4ECYP1A2 | |
| Alloclamide SCHEMBL29730070 | 0.76 | MCHR1 (0.53) | SMN1; SMN2ALDH1A1MCHR1KDM4ECYP1A2 | |
| SCHEMBL14094449 | 0.76 | CYP1A2 (0.59) | HTTSMN1; SMN2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL2993559 | 0.76 | HTT (0.56) | HTTSMN1; SMN2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL1186372 | 0.76 | MCHR1 (0.60) | ALDH1A1MCHR1KDM4ECYP1A2CYP2D6 | |
| Alloclamide SCHEMBL209095 | 0.75 | MCHR1 (0.52) | SMN1; SMN2ALDH1A1MCHR1KDM4ECYP1A2 |
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-2023005281-A1 | PREPARATION METHOD FOR AND APPLICATION OF NOVEL CDK9 INHIBITOR HAVING MACROCYCLIC SKELETON STRUCTURE | 中国药科大学 | 2023-02-02 | — | — | WO | disclosed |