Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19792367 | 0.81 | CYP2A6 (0.46) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL10272932 | 0.77 | CYP2A6 (0.42) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL30718639 | 0.74 | ABL1 (0.44) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL2226466 | 0.74 | ABL1 (0.44) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL19792380 | 0.73 | LPL (0.39) | — | |
| SCHEMBL1641540 | 0.71 | ABL1 (0.42) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL269264 | 0.71 | CYP2A6 (0.57) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL12963913 | 0.70 | GSK3A (0.42) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL2226121 | 0.70 | ABL1 (0.41) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL3119876 | 0.69 | CYP1A2 (0.46) | MEN1KMT2AKDM4EALDH1A1CYP2A6 |
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-2018015879-A1 | ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-01-25 | — | — | WO | disclosed |