Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | ALPG | P10696 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 5/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2504091 | 0.84 | AAK1 (0.53) | AAK1ALPLALPIALPGBACE1 | |
| SCHEMBL2504088 | 0.84 | AAK1 (0.53) | AAK1ALPLALPIALPGBACE1 | |
| SCHEMBL4792161 | 0.79 | BCHE (0.47) | AAK1PTPN1MLKLKMT2AMEN1 | |
| SCHEMBL14820895 | 0.74 | CTSK (0.57) | GABRB1GABRB2KMT2AMEN1LMNA | |
| SCHEMBL2549911 | 0.73 | AAK1 (0.54) | AAK1 | |
| SCHEMBL8330091 | 0.72 | TSHR (0.59) | AAK1PTPN1KMT2ALMNAMAPT | |
| SCHEMBL6304376 | 0.72 | TSHR (0.59) | AAK1PTPN1KMT2ALMNAMAPT | |
| SCHEMBL1479477 | 0.71 | AAK1 (0.44) | AAK1S1PR3S1PR1 | |
| SCHEMBL19494664 | 0.71 | CACNA1H (0.55) | MPOPIN1LMNAGAABCHE | |
| SCHEMBL2509706 | 0.71 | ALPL (0.58) | ALPLALPIALPGBACE1BACE2 |
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 | AAK1 1089/4885ALPL 1227/4885ALPI 216/4885 |
“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.