Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7969475 | 0.83 | CYP4F2 (0.39) | CYP11B1CYP11B2PDE10AHDAC1KCNN4 | |
| SCHEMBL5357402 | 0.81 | P2RX7 (0.40) | KCNH2CYP11B1CYP11B2MAOBMAOA | |
| SCHEMBL5357577 | 0.79 | CYP11B1 (0.37) | KCNH2CYP11B1CYP11B2MAOBMAOA | |
| SCHEMBL5361469 | 0.79 | CYP11B1 (0.37) | KCNH2CYP11B1CYP11B2MAOBMAOA | |
| SCHEMBL10893727 | 0.75 | IDO1 (0.37) | CYP11B1CYP11B2KCNN4KCNA3 | |
| SCHEMBL6296621 | 0.74 | CYP4F2 (0.36) | HDAC1 | |
| SCHEMBL23646839 | 0.70 | KCNH2 (0.47) | KCNH2KDM4AKDM5AKDM4CKDM5B | |
| SCHEMBL17356076 | 0.70 | PDE10A (0.60) | KCNH2KDM4AKDM5AKDM4CKDM5B | |
| SCHEMBL15481206 | 0.70 | ALPI (0.45) | — | |
| SCHEMBL14478094 | 0.69 | CYP11B1 (0.40) | KCNH2NOS1CYP11B1CYP11B2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636586-A | ERK inhibitors and methods of use | ARAXES PHARMA LLC | 2016-06-01 | — | — | CN | disclosed |