Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.33 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8267416 | 0.78 | MBNL1 (0.32) | MBNL1NPC1 | |
| SCHEMBL8267371 | 0.75 | KDM4E (0.44) | ALDH1A1MAPK1KDM4E | |
| SCHEMBL13555489 | 0.72 | TP53 (0.43) | TP53MAPTNTRK1F7F3 | |
| SCHEMBL12223691 | 0.71 | HASPIN (0.32) | — | |
| SCHEMBL13174243 | 0.71 | MEN1 (0.37) | MAPTALDH1A1KDM4E | |
| SCHEMBL6016535 | 0.70 | RXFP1 (0.50) | TP53MAPTNTRK1RXFP1ALDH1A1 | |
| SCHEMBL11246669 | 0.68 | KDM4E (0.44) | TP53MAPTNTRK1RXFP1ALDH1A1 | |
| SCHEMBL5912611 | 0.67 | AURKA (0.41) | TP53MAPTF7F3DCUN1D1 | |
| SCHEMBL2953742 | 0.65 | ALDH1A1 (0.58) | MAPTALDH1A1NPC1MAPK1KDM4E | |
| SCHEMBL3573674 | 0.64 | LMNA (0.50) | MAPTALDH1A1DCUN1D1NPC1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120270318-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | 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 |