Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.45 |
| ▸ | GNRHR | P30968 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12472635 | 0.89 | HTT (0.40) | GNRHRBRD4KEAP1NFE2L2CCNT1 | |
| SCHEMBL11900545 | 0.83 | BACE1 (0.45) | BACE1BACE2P2RX7RORCTNF | |
| SCHEMBL11901466 | 0.83 | ITGB3 (0.46) | ABCB1MAPTBRD4KEAP1NFE2L2 | |
| SCHEMBL11901528 | 0.82 | NOD2 (0.48) | MAPTBRD4RORCKEAP1NFE2L2 | |
| SCHEMBL12472857 | 0.74 | BRD4 (0.38) | BACE1BACE2BRD4TNFCCNT1 | |
| SCHEMBL4938133 | 0.74 | OPRM1 (0.49) | MAPTRORCKEAP1NFE2L2 | |
| SCHEMBL21457809 | 0.74 | ABCB1 (0.41) | ABCB1MAPTP2RX7RORCKEAP1 | |
| SCHEMBL29576985 | 0.74 | ABCB1 (0.41) | ABCB1MAPTP2RX7RORCKEAP1 | |
| SCHEMBL29707414 | 0.73 | ABCB1 (0.48) | ABCB1MAPTKEAP1NFE2L2ITGB3 | |
| SCHEMBL21248918 | 0.73 | ABCB1 (0.53) | ABCB1MAPTKEAP1NFE2L2ITGB3 |
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-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| EP-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | 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-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, AKT3 | BACE1 371/4885BACE2 890/4885GNRHR 4547/4885 |
“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.