Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.56 |
| ▸ | ERN1 | O75460 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | BCKDK | O14874 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3640233 | 0.85 | CYP2A6 (0.64) | CYP2A6ERN1TDP1PTPN1KEAP1 | |
| SCHEMBL29679015 | 0.85 | CYP2A6 (0.64) | CYP2A6ERN1TDP1PTPN1KEAP1 | |
| SCHEMBL6811552 | 0.78 | CYP2A6 (0.74) | CYP2A6ERN1PTPN1CA2 | |
| SCHEMBL1121724 | 0.78 | CYP2A6 (0.56) | CYP2A6ERN1PTPN1BCKDKCA2 | |
| SCHEMBL30197394 | 0.78 | CYP2A6 (0.74) | CYP2A6ERN1PTPN1CA2 | |
| SCHEMBL20354821 | 0.74 | CYP2A6 (0.42) | CYP2A6KEAP1NFE2L2BCKDKMCL1 | |
| SCHEMBL30163349 | 0.74 | CYP2A6 (0.48) | CYP2A6TDP1KEAP1NFE2L2BCKDK | |
| SCHEMBL17912642 | 0.74 | CYP2A6 (0.61) | CYP2A6ERN1PTPN1 | |
| SCHEMBL4796572 | 0.74 | CYP2A6 (0.51) | CYP2A6ERN1RXFP1HSD17B10 | |
| SCHEMBL10373575 | 0.73 | CYP2A6 (0.50) | CYP2A6ERN1TDP1PTPN1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1685100-B1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME (GB) | 2011-02-09 | — | — | EP | disclosed |
| CN-1902168-A | Novel 1, 3-disubstituted azetidine derivatives as 5-HT 2A receptor ligands | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | 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-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 | CYP2A6 743/4885ERN1 4302/4885TDP1 1679/4885 |
“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.