Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DDO | Q99489 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27918809 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL18925305 | 0.78 | KCNH2 (0.38) | ALDH1A1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL3690367 | 0.75 | ALDH1A1 (0.44) | ALDH1A1LMNA | |
| Pyridine SCHEMBL28061631 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL7638318 | 0.72 | MEN1 (0.33) | ALDH1A1MEN1KMT2APIK3CB | |
| SCHEMBL23940274 | 0.72 | RAF1 (0.37) | ALDH1A1MEN1KMT2AKCNH2CYP11B1 | |
| SCHEMBL22606743 | 0.71 | — | — | |
| SCHEMBL13158544 | 0.71 | — | — | |
| Bromide SCHEMBL7898147 | 0.71 | MEN1 (0.50) | ALDH1A1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL10430237 | 0.71 | SLC22A12 (0.42) | ALDH1A1MEN1KMT2AKCNH2CYP11B1 |
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-109689664-A | The quinoline and azepine quinoline compound that tricyclic heteroaryl as PAR4 inhibitor replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |