Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.34 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL94770 | 0.71 | MAPT (0.50) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL1450885 | 0.69 | NISCH (0.36) | SMN1; SMN2LMNAMAPTHSD17B3 | |
| SCHEMBL2851479 | 0.69 | — | — | |
| SCHEMBL3128 | 0.69 | — | — | |
| SCHEMBL10455557 | 0.68 | MAOA (0.53) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL29388834 | 0.68 | MAOA (0.53) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL4139022 | 0.68 | MAOA (0.44) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL130712 | 0.67 | MAOA (0.71) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL5530904 | 0.67 | MAOA (0.41) | MAOAMAOBDRD2DRD1DRD4 | |
| SCHEMBL11131856 | 0.67 | MAOA (0.68) | MAOAMAOBDRD2DRD1DRD4 |
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 7 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 |
| 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 |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2009-04-23 | — | — | 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 | MAOA 4808/4885MAOB 4660/4885DRD2 4571/4885 |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | SHH, GLI1, SMO | MAOA 4839/4885MAOB 4750/4885DRD2 4520/4885 |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | SHH, GLI1, SMO | MAOA 4808/4885MAOB 4660/4885DRD2 4571/4885 |
“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.