Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.45 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19218274 | 0.77 | CHKA (0.39) | BRD4HSD17B2HSD17B1LRRK2KDM4E | |
| SCHEMBL12153417 | 0.73 | CYP1A2 (0.38) | HSD17B2HSD17B1KDM4EALDH1A1MAPT | |
| SCHEMBL9888952 | 0.73 | CYP1A2 (0.38) | HSD17B2HSD17B1KDM4EALDH1A1MAPT | |
| SCHEMBL11409410 | 0.72 | ALDH1A1 (0.52) | BRD4LIN28AHSD17B2HSD17B1NPC1 | |
| SCHEMBL1177869 | 0.72 | ALDH1A1 (0.53) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL21414496 | 0.71 | CYP1A2 (0.36) | HSD17B2HSD17B1KDM4EALDH1A1MAPT | |
| SCHEMBL15306294 | 0.71 | CYP1A2 (0.36) | HSD17B2HSD17B1KDM4EALDH1A1MAPT | |
| SCHEMBL208445 | 0.71 | ALDH1A1 (0.54) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL311937 | 0.71 | ESR1 (0.46) | HSD17B2HSD17B1MEN1KMT2A | |
| SCHEMBL311659 | 0.71 | ESR1 (0.46) | HSD17B2HSD17B1MEN1KMT2A |
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-2020109524-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2020-06-04 | — | — | WO | disclosed |