Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | DBH | P09172 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL7666743 | 0.85 | HTT (0.55) | HTTLMNARAB9AMAPK1KDM4E | |
| SCHEMBL9921235 | 0.83 | KDM4E (0.52) | HTTLMNARAB9AKDM4EATM | |
| SCHEMBL988997 | 0.83 | KDM4E (0.72) | LMNAMAPK1KDM4EATMCYP1A2 | |
| SCHEMBL296592 | 0.82 | ATM (0.66) | KDM4EATMALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL584542 | 0.82 | KDM4E (0.47) | HTTLMNARAB9AMAPK1KDM4E | |
| SCHEMBL20307605 | 0.81 | KDM4E (0.50) | HTTLMNARAB9AKDM4EATM | |
| SCHEMBL2656831 | 0.81 | KDM4E (0.50) | HTTLMNARAB9AKDM4EATM | |
| SCHEMBL1241032 | 0.81 | KDM4E (0.50) | HTTLMNARAB9AMAPK1KDM4E | |
| Hydrochloric Acid SCHEMBL1437290 | 0.81 | KDM4E (0.70) | LMNAMAPK1KDM4EATMCYP1A2 | |
| SCHEMBL13907959 | 0.81 | CYP17A1 (0.49) | HTTLMNARAB9AMAPK1KDM4E |
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 |