Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16319115 | 0.87 | ATM (0.53) | ATMGRM5CYP11B1CYP11B2SIRT2 | |
| SCHEMBL23167202 | 0.83 | ATM (0.56) | ATMGRM5CYP11B1CYP11B2SIRT2 | |
| SCHEMBL30281264 | 0.83 | HCAR2 (0.47) | SIRT2ALDH1A1KDM4EP2RX3CYP2C9 | |
| SCHEMBL14004766 | 0.83 | ATM (0.49) | ATMGRM5CYP11B1CYP11B2SIRT2 | |
| SCHEMBL30281289 | 0.82 | SIRT2 (0.47) | SIRT2SIRT3SIRT1 | |
| SCHEMBL17781534 | 0.80 | ATM (0.56) | ATMGRM5CYP11B1CYP11B2SIRT2 | |
| SCHEMBL1806939 | 0.79 | ATM (0.51) | ATMGRM5CYP11B1CYP11B2SIRT2 | |
| SCHEMBL28060971 | 0.79 | ATM (0.54) | ATMGRM5CYP11B1CYP11B2SIRT2 | |
| SCHEMBL12524683 | 0.78 | ATM (0.53) | ATMGRM5CYP11B1CYP11B2MAPT | |
| SCHEMBL31287098 | 0.78 | ATM (0.53) | ATMGRM5CYP11B1CYP11B2SIRT2 |
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-106478497-A | Aryl amine derivatives as TTX S blocker | 拉夸里亚创药株式会社 | 2017-03-08 | — | — | CN | disclosed |