Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | LDHA | P00338 | 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 | |
|---|---|---|---|---|
| SCHEMBL28003037 | 0.88 | ATM (0.59) | KDM4EATMCHRM5CHRM1ALDH1A1 | |
| SCHEMBL28633458 | 0.82 | ALDH1A1 (0.48) | KDM4EATMCHRM5CHRM1ALDH1A1 | |
| SCHEMBL14892303 | 0.82 | HTT (0.54) | HTTLMNAKDM4EATMMITF | |
| SCHEMBL20307605 | 0.79 | KDM4E (0.50) | HTTLMNAKDM4EATMMITF | |
| SCHEMBL4257109 | 0.78 | HTT (0.57) | HTTLMNAKDM4EMITFALDH1A1 | |
| SCHEMBL988997 | 0.77 | KDM4E (0.72) | LMNAKDM4EATMMAPK1CYP1A2 | |
| SCHEMBL585819 | 0.77 | FFAR4 (0.60) | HTTLMNAKDM4EMITFALDH1A1 | |
| SCHEMBL7847132 | 0.77 | RAB9A (0.58) | HTTLMNAKDM4EMITFALDH1A1 | |
| SCHEMBL20191206 | 0.77 | APP (0.50) | LMNAKDM4EALDH1A1MAPK1APP | |
| SCHEMBL20188093 | 0.77 | CYP4F2 (0.39) | LMNAKDM4ECYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |