Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.44 |
| ▸ | NOS3 | P29474 | 4/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | PI4KA | P42356 | 2/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 2/20 | 0.37 |
| ▸ | NCF1 | P14598 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27754726 | 0.92 | HSP90AA1 (0.42) | NOS2NOS3NOS1PI4KAPI4KB | |
| SCHEMBL1414907 | 0.81 | KDM4E (0.60) | NOS2NOS3NOS1PI4KAPI4KB | |
| SCHEMBL1828161 | 0.79 | ADORA2A (0.53) | HSP90AA1KDM4EL3MBTL1BACE1 | |
| SCHEMBL2415317 | 0.77 | HSP90AA1 (0.41) | NOS2NOS3NOS1PI4KAPI4KB | |
| SCHEMBL7264629 | 0.75 | KDM4E (0.49) | NOS2NOS3NOS1PI4KAPI4KB | |
| SCHEMBL12443811 | 0.75 | MEN1 (0.48) | KDM4EIRAK4TDP1 | |
| SCHEMBL1018167 | 0.75 | NPC1 (0.47) | HSP90AA1L3MBTL1SCN9A | |
| SCHEMBL2069697 | 0.74 | POLB (0.52) | KDM4EALOX15L3MBTL1TDP1 | |
| SCHEMBL2068779 | 0.74 | ALDH1A1 (0.56) | KDM4EL3MBTL1TDP1 | |
| SCHEMBL11273216 | 0.74 | ADORA3 (0.48) | PI4KAPI4KBHSP90AA1ALOX15SCN9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9216964-B2 | Hedgehog pathway modulators | NOVARTIS AG (CH) | 2015-12-22 | — | — | US | disclosed |
| US-8975402-B2 | HPLC method for the analysis of bosetan and related substances and use of these substances as reference standards and markers | GENERICS [UK] LIMITED (GB) | 2015-03-10 | — | — | 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-20110263853-A1 | HPLC METHOD FOR THE ANALYSIS OF BOSETAN AND RELATED SUBSTANCES AND USE OF THESE SUBSTANCES AS REFERENCE STANDARDS AND MARKERS | MYLAN INDIA PRIVATE LIMITED (IN) | 2011-10-27 | — | — | 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 (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-20130296333-A1 | HEDGEHOG PATHWAY MODULATORS | GLI1, SHH, SMO | NOS2 3957/4885NOS3 4131/4885NOS1 4178/4885 |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | GLI1, SHH, SMO | NOS2 4272/4885NOS3 4294/4885NOS1 4455/4885 |
| US-20110263853-A1 | HPLC METHOD FOR THE ANALYSIS OF BOSETAN AND RELATED SUBSTANCES AND USE OF THESE SUBSTANCES AS REFERENCE STANDARDS AND MARKERS | SHBG, PGF, NPPA | NOS2 56/4885NOS3 33/4885NOS1 67/4885 |
“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.