Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.57 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | LATS1 | O95835 | 1/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.46 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.46 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL6354314 | 0.94 | MELK (0.52) | MELKCHEK1CYP11B2 | |
| SCHEMBL3453906 | 0.87 | CHEK1 (0.58) | MELKCHEK1CYP11B2HRH4MAP4K1 | |
| SCHEMBL6352719 | 0.84 | CYP1A2 (0.53) | CHEK1CYP11B2RPS6KA3CYP1A2 | |
| SCHEMBL6347039 | 0.83 | CYP2A6 (0.57) | CHEK1CYP11B2HRH4 | |
| SCHEMBL6357589 | 0.82 | CHEK1 (0.53) | CHEK1CYP11B2MAP4K1HTR3A | |
| SCHEMBL28337260 | 0.81 | MELK (0.69) | MELKCHEK1RPS6KA3RPS6KA2RPS6KA1 | |
| SCHEMBL31181683 | 0.81 | LRRK2 (0.54) | CHEK1CYP11B2RPS6KA3RPS6KA2RPS6KA1 | |
| SCHEMBL6351651 | 0.81 | ADRB2 (0.61) | — | |
| SCHEMBL6352897 | 0.80 | CYP1A2 (0.49) | CHEK1CYP11B2RPS6KA3CYP1A2 | |
| SCHEMBL2382088 | 0.79 | MET (0.55) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6897219-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2005-05-24 | — | — | US | disclosed |
| US-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | disclosed |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | NEUROSEARCH A/S | 2004-04-15 | — | — | US | disclosed |
| CN-1131211-C | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2003-12-17 | — | — | CN | disclosed |
| CN-1277604-A | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2000-12-20 | — | — | CN | 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-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | OGFR, CBR3, OGFRL1 | MELK 779/4885CHEK1 1029/4885CYP11B2 71/4885 |
“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.