Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | S100A4 | P26447 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 2/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.39 |
| ▸ | PADI3 | Q9ULW8 | 1/20 | 0.39 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.39 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RRM1 | P23921 | 1/20 | 0.37 |
| ▸ | RRM2 | P31350 | 1/20 | 0.37 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.37 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8512088 | 0.86 | S100A4 (0.45) | ALDH1A1L3MBTL1S100A4TDP2NSD2 | |
| SCHEMBL890949 | 0.84 | S100A4 (0.43) | ALDH1A1L3MBTL1S100A4TDP2NSD2 | |
| SCHEMBL1501696 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL28281811 | 0.80 | RRM1 (0.45) | ALDH1A1L3MBTL1S100A4TDP2NSD2 | |
| SCHEMBL10777669 | 0.80 | CA12 (0.42) | ALDH1A1L3MBTL1RRM1RRM2RRM2B | |
| SCHEMBL10768091 | 0.78 | NFE2L2 (0.46) | ALDH1A1S100A4IDO1PTPRCCDC25B | |
| SCHEMBL28337559 | 0.78 | TRIM24 (0.44) | ALDH1A1L3MBTL1S100A4TDP2NSD2 | |
| SCHEMBL3341430 | 0.78 | ALDH1A1 (0.41) | ALDH1A1S100A4TDP2NSD2PAX8 | |
| SCHEMBL4035576 | 0.78 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1S100A4IDO1PTPRC | |
| SCHEMBL2083077 | 0.77 | ALDH1A1 (0.42) | ALDH1A1S100A4TDP2NSD2PAX8 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796294-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-08-05 | — | — | US | disclosed |
| US-8754092-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-06-17 | — | — | US | disclosed |
| CN-101679308-B | Inhibitors of the hedgehog pathway | EXELIXIS INC | 2014-05-07 | — | — | CN | disclosed |
| EP-2527330-A1 | Inhibitors of the hedgehog pathway | Exelixis, Inc. (US) | 2012-11-28 | — | — | EP | disclosed |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-27 | — | — | US | disclosed |
| US-20120238570-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-20 | — | — | US | disclosed |
| US-8222263-B2 | Inhibitors of hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2012-07-17 | — | — | US | disclosed |
| CN-101679308-A | inhibitors of the hedgehog pathway | EXELIXIS INC | 2010-03-24 | — | — | CN | disclosed |
| EP-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | WO | disclosed |
| US-3182066-A | Aminophenyl-pyridyl ketones | ROCHE PRODUCTS INC. (PR) | 1965-05-04 | — | — | 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 (3 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-20120238570-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1486/4885L3MBTL1 2622/4885S100A4 4305/4885 |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1523/4885L3MBTL1 2668/4885S100A4 4298/4885 |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1486/4885L3MBTL1 2622/4885S100A4 4305/4885 |
“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.