Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 2/20 | 0.33 |
| ▸ | GFER | P55789 | 2/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | BCKDK | O14874 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28760382 | 0.86 | ALDH1A1 (0.34) | ALDH1A1LMNAMAPTPOLBMPI | |
| SCHEMBL8554627 | 0.78 | CYP11B1 (0.35) | ALDH1A1LMNAMAPTPOLBMPI | |
| SCHEMBL8124099 | 0.72 | BCKDK (0.45) | ALDH1A1LMNAMAPTPOLBMPI | |
| SCHEMBL1121782 | 0.72 | CCNB2 (0.44) | ALDH1A1LMNAMAPTPOLBMPI | |
| SCHEMBL30487367 | 0.72 | ALDH1A1 (0.53) | ALDH1A1LMNAMAPTPOLBMPI | |
| SCHEMBL8558730 | 0.69 | HTR1A (0.35) | ALDH1A1LMNAMAPTPOLBGRM4 | |
| SCHEMBL24898062 | 0.68 | — | — | |
| SCHEMBL24848632 | 0.68 | ALDH1A1 (0.36) | ALDH1A1LMNAMAPTPOLBMPI | |
| SCHEMBL24898412 | 0.67 | BCKDK (0.47) | ALDH1A1LMNAMAPTPOLBMPI | |
| SCHEMBL30211547 | 0.67 | BCKDK (0.47) | ALDH1A1LMNAMAPTPOLBMPI |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685100-B1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME (GB) | 2011-02-09 | — | — | EP | disclosed |
| US-7094777-B2 | 5-HT2A receptor ligands | MERK SHARP & DOHME LTD. | 2006-08-22 | — | — | US | disclosed |
| EP-1685100-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | Merck Sharp & Dohme Limited (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005030705-A9 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC (CA) | 2006-04-20 | — | — | WO | disclosed |
| WO-2005047247-A1 | NOVEL1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |
| WO-2005047246-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |
| US-20050101586-A1 | Novel 5-HT2A receptor ligands | MERCK SHARP & DOHME LTD. (GB) | 2005-05-12 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050101586-A1 | Novel 5-HT2A receptor ligands | HTR2A, HTR1A, HTR5A | ALDH1A1 911/4885LMNA 3065/4885MAPT 1845/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.