Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.32 |
| ▸ | ITGA2 | P17301 | 3/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRE | P78334 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3064713 | 0.85 | OPRM1 (0.35) | TSHRPKMPLAT | |
| Trifluoroacetic Acid SCHEMBL20292225 | 0.83 | F2 (0.36) | TSHRHRH4HRH3F2ITGB3 | |
| Trifluoroacetic Acid SCHEMBL6247966 | 0.79 | OXTR (0.44) | CACNA1B | |
| SCHEMBL17961771 | 0.75 | HTR3E (0.34) | — | |
| SCHEMBL17961770 | 0.75 | HTR3E (0.34) | — | |
| SCHEMBL11410317 | 0.74 | OPRM1 (0.38) | TSHR | |
| Trifluoroacetic Acid SCHEMBL23849718 | 0.74 | F2 (0.35) | TSHRHRH4F2GABRPGABRD | |
| Trifluoroacetic Acid SCHEMBL22588024 | 0.74 | NPY5R (0.37) | TSHRHRH4HRH3F2GABRP | |
| Trifluoroacetic Acid SCHEMBL27918463 | 0.72 | KDM5A (0.37) | F2 | |
| Trifluoroacetic Acid SCHEMBL6250608 | 0.71 | OPRM1 (0.51) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765805-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008070014-A2 | BIARYL KETONE-SUBSTITUTED PIPERIDINES | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2008060568-A2 | AMIDE-SUBSTITUTED ARYL PIPERIDINES | NEUROGEN CORPORATION (US) | 2008-05-22 | — | — | WO | disclosed |
| EP-1765805-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005072308-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | WO | disclosed |