Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | GSK3A | P49840 | 2/20 | 0.62 |
| ▸ | GSK3B | P49841 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | MGLL | Q99685 | 3/20 | 0.57 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14678150 | 0.83 | HSP90AA1 (1.00) | HSP90AA1KMT2AGSK3AGSK3BALDH1A1 | |
| SCHEMBL32665528 | 0.81 | GSK3A (0.51) | HSP90AA1KMT2AGSK3AGSK3BALDH1A1 | |
| SCHEMBL26879510 | 0.80 | MGLL (0.54) | HSP90AA1KMT2AGSK3AGSK3BALDH1A1 | |
| SCHEMBL4854039 | 0.79 | NR1H3 (0.62) | KMT2AALDH1A1LMNATP53MAPT | |
| SCHEMBL30830857 | 0.79 | KMT2A (0.71) | HSP90AA1KMT2AALDH1A1CA2SIGMAR1 | |
| SCHEMBL13698258 | 0.79 | KMT2A (0.55) | HSP90AA1KMT2AALDH1A1CA2SIGMAR1 | |
| SCHEMBL3470063 | 0.79 | RGS4 (0.55) | HSP90AA1KMT2AALDH1A1CA2SIGMAR1 | |
| SCHEMBL10341825 | 0.78 | KMT2A (0.57) | HSP90AA1KMT2AALDH1A1CA2SIGMAR1 | |
| SCHEMBL3384174 | 0.77 | GSK3A (1.00) | KMT2AGSK3AGSK3BALDH1A1MGLL | |
| SCHEMBL26098144 | 0.76 | KMT2A (0.63) | HSP90AA1KMT2AGSK3AGSK3BALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307412-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010002956-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-07 | — | — | WO | disclosed |