Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 6/20 | 0.38 |
| ▸ | HTR2B | P41595 | 4/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | SUV39H2 | Q9H5I1 | 4/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7253039 | 0.78 | LGMN (0.39) | HTR6 | |
| SCHEMBL7253274 | 0.78 | MAPT (0.41) | — | |
| SCHEMBL7253617 | 0.75 | HTR1D (0.51) | KHKHRH4HTR6SUV39H2 | |
| Hydrochloric Acid SCHEMBL8035283 | 0.69 | HTR1D (0.32) | — | |
| SCHEMBL7252921 | 0.68 | SLC6A2 (0.40) | CDK2 | |
| SCHEMBL5398961 | 0.67 | HRH4 (0.45) | KHKHRH4HRH3HTR6HTR2B | |
| SCHEMBL6746001 | 0.67 | KHK (0.46) | KHKCDK1CDK4CCNB1CCND1 | |
| SCHEMBL23959393 | 0.66 | HRH4 (0.46) | KHKHRH4HRH3HTR6CDK1 | |
| SCHEMBL20242793 | 0.66 | HTR6 (0.38) | HTR6CCNE1CDK2SUV39H2 | |
| SCHEMBL31669402 | 0.66 | NEK1 (0.45) | KHKHRH4HRH3HTR6HTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | NPS ALLEXLIX CORP. | 2002-11-14 | — | — | US | claimed |
| US-6635639-B2 | Treatment or diagnosis of central nervous system conditions | NPS ALLELIX CORP. (CA) | 2003-10-21 | — | — | US | disclosed |
| US-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | NPS ALLEXLIX CORP. | 2002-11-14 | — | — | US | disclosed |
| US-6380242-B1 | FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS | NPS ALLELIX CORP. (CA) | 2002-04-30 | — | — | 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-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | CNR1, CNR2, KCNH1 | KHK 726/4885HRH4 31/4885HRH3 84/4885 |
“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.