Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16729396 | 0.86 | PTGS2 (0.34) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL16729554 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL16729460 | 0.78 | TACR1 (0.37) | — | |
| SCHEMBL16727030 | 0.77 | RXRA (0.36) | CYP24A1AKR1C3AKR1C2 | |
| SCHEMBL5937284 | 0.71 | CA1 (0.50) | TDP1APLNR | |
| SCHEMBL28294484 | 0.69 | ALDH1A1 (0.41) | CYP24A1PTGS2 | |
| SCHEMBL1604661 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL17733920 | 0.68 | — | — | |
| SCHEMBL13568172 | 0.68 | NPC1 (0.37) | — | |
| SCHEMBL23256340 | 0.68 | ABCB11 (0.55) | TDP1PTGS2AKR1C3AKR1C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9181245-B2 | Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease | Janssen Pharmaceuticals, Inc. (US) | 2015-11-10 | — | — | US | disclosed |
| US-20150141411-A1 | SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE | CELLZOME LIMITED (GB) | 2015-05-21 | — | — | 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-20150141411-A1 | SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE | BACE1, PSEN1, BACE2 | CYP24A1 186/4885TDP1 460/4885APLNR 1436/4885 |
“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.