Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL16729562 | 0.86 | CYP24A1 (0.36) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL16727026 | 0.80 | RXRA (0.41) | PTGS2 | |
| SCHEMBL16729554 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL16729460 | 0.76 | TACR1 (0.37) | — | |
| SCHEMBL20023726 | 0.74 | NQO1 (0.48) | ACACBAKR1C3AKR1C2CA12CA1 | |
| SCHEMBL13568172 | 0.74 | NPC1 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4599987 | 0.67 | PTGS2 (0.40) | PTGS2ACACBAKR1C3AKR1C2 | |
| SCHEMBL1604661 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL24509379 | 0.64 | HTT (0.38) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL18243673 | 0.63 | ALDH1A1 (0.39) | CA1CA2CA9 |
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 | PTGS2 1242/4885ACACB 2506/4885AKR1C3 1292/4885 |
“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.