Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 13/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | PIK3C2G | O75747 | 1/20 | 0.46 |
| ▸ | PRKDC | P78527 | 1/20 | 0.46 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11923196 | 0.91 | PDK1 (0.51) | AKT1TSHR | |
| SCHEMBL8267704 | 0.86 | MEN1 (0.47) | TSHRMAPT | |
| SCHEMBL8266816 | 0.81 | ABL1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL8267844 | 0.81 | ABL1 (0.53) | ALDH1A1 | |
| SCHEMBL11923375 | 0.81 | KDM4E (0.48) | ALDH1A1 | |
| SCHEMBL8267367 | 0.80 | ABL1 (0.45) | ALDH1A1PIK3CA | |
| SCHEMBL13251568 | 0.80 | TSHR (0.40) | ALDH1A1TSHRHSD17B10PIK3CACYP3A4 | |
| SCHEMBL8268278 | 0.79 | ABL1 (0.52) | ALDH1A1HSD17B10 | |
| SCHEMBL2948308 | 0.79 | PTPN11 (0.52) | ALDH1A1TSHRHSD17B10PIK3CACYP3A4 | |
| SCHEMBL8267373 | 0.78 | ABL1 (0.51) | ALDH1A1HSD17B10 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8546414-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-10-01 | — | — | US | disclosed |
| US-8546414-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120270318-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| US-20120270318-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| US-8236815-B2 | Ion channel modulators and methods of uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-07 | — | — | US | disclosed |
| US-8236815-B2 | Ion channel modulators and methods of uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-07 | — | — | US | disclosed |
| US-7767680-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| US-7767680-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| WO-2006050476-A2 | PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-05-11 | — | — | WO | disclosed |