Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 5/20 | 0.37 |
| ▸ | EGFR | P00533 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | HTR2B | P41595 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL302886 | 0.88 | CTSV (0.41) | CYP19A1JAK2JAK3AKR1C3USP2 | |
| SCHEMBL303355 | 0.86 | JAK2 (0.37) | P2RY1JAK2JAK3HTR2CHTR2B | |
| SCHEMBL1921909 | 0.83 | JAK2 (0.36) | JAK2JAK3HTR2CHTR2BHTR2A | |
| SCHEMBL2029733 | 0.82 | CARM1 (0.44) | CYP19A1 | |
| SCHEMBL303642 | 0.81 | JAK2 (0.39) | JAK2JAK3BRD4MAPK14 | |
| SCHEMBL304003 | 0.81 | PTGDR2 (0.39) | JAK2JAK3BRD4AKR1C3USP2 | |
| SCHEMBL306403 | 0.77 | POLB (0.51) | MAPTHTTGAATSHR | |
| SCHEMBL303677 | 0.76 | PTGDR2 (0.40) | JAK2JAK3BRD4MAPK14MAPT | |
| SCHEMBL303061 | 0.76 | JAK2 (0.38) | JAK2JAK3BRD4 | |
| SCHEMBL304705 | 0.76 | JAK2 (0.40) | JAK2JAK3MAPK14SMOPIK3CA |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2328871-B1 | HEDGEHOG PATHWAY MODULATORS | NOVARTIS AG (CH) | 2020-04-01 | — | — | EP | claimed |
| CN-102203067-B | Hedgehog pathway modulators | IRM LLC | 2014-01-15 | — | — | CN | claimed |
| US-8507491-B2 | Compounds and compositions as hedgehog pathway inhibitors | IRM LLC (BM) | 2013-08-13 | — | — | US | claimed |
| JP-2012500853-A | — | — | 2012-01-12 | — | — | JP | claimed |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-23 | — | — | US | claimed |
| EP-2328871-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-08 | — | — | EP | claimed |
| WO-2010027746-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2010-03-11 | — | — | WO | claimed |
| US-9216964-B2 | Hedgehog pathway modulators | NOVARTIS AG (CH) | 2015-12-22 | — | — | US | disclosed |
| US-9216964-B2 | Hedgehog pathway modulators | NOVARTIS AG (CH) | 2015-12-22 | — | — | US | disclosed |
| CN-102203067-B | Hedgehog pathway modulators | IRM LLC | 2014-01-15 | — | — | CN | disclosed |
| US-20130296333-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2013-11-07 | — | — | US | disclosed |
| US-20130296333-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2013-11-07 | — | — | US | disclosed |
| US-8507491-B2 | Compounds and compositions as hedgehog pathway inhibitors | IRM LLC (BM) | 2013-08-13 | — | — | US | disclosed |
| US-8507491-B2 | Compounds and compositions as hedgehog pathway inhibitors | IRM LLC (BM) | 2013-08-13 | — | — | US | disclosed |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-23 | — | — | US | disclosed |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-23 | — | — | US | disclosed |
| EP-2328871-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-08 | — | — | EP | disclosed |
| WO-2010027746-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2010-03-11 | — | — | WO | 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 (2 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-20130296333-A1 | HEDGEHOG PATHWAY MODULATORS | GLI1, SHH, SMO | ERBB2 433/4885EGFR 127/4885CYP19A1 3566/4885 |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | GLI1, SHH, SMO | ERBB2 187/4885EGFR 53/4885CYP19A1 3546/4885 |
“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.