Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25567694 | 0.84 | MEN1 (0.40) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL22329421 | 0.82 | ABCG2 (0.42) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL22329150 | 0.82 | ABCG2 (0.42) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL25568922 | 0.82 | TNKS (0.39) | LMNAMEN1ALDH1A1KMT2AKDM4E | |
| SCHEMBL38666706 | 0.81 | ABCG2 (0.41) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL22329420 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL22329148 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL20392229 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL22329149 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP3A4LMNACYP2C19CLK4 | |
| SCHEMBL22329418 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP3A4LMNACYP2C19CLK4 |
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-2023094412-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-06-01 | — | — | WO | disclosed |