Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | AKT2 | P31751 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3974332 | 0.85 | AKT2 (0.48) | BRD4AKT2TDO2KMT2AMAPT | |
| SCHEMBL27552263 | 0.83 | TDP1 (0.41) | BRD4AKT2TDO2KMT2AMAPT | |
| SCHEMBL16429717 | 0.81 | RPS6KA3 (0.47) | BRD4AKT2TDO2KMT2AMAPT | |
| SCHEMBL28060692 | 0.80 | KMT2A (0.40) | BRD4AKT2TDO2KMT2AMAPT | |
| SCHEMBL5551256 | 0.80 | MAPT (0.42) | BRD4AKT2KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL3794847 | 0.79 | CYP3A4 (0.46) | BRD4AKT2TDO2KMT2AMAPT | |
| SCHEMBL3145455 | 0.79 | MAPT (0.42) | BRD4AKT2KMT2AMAPTCDK8 | |
| SCHEMBL675595 | 0.79 | ALDH1A1 (0.50) | BRD4AKT2TDO2KMT2AMAPT | |
| SCHEMBL28535205 | 0.79 | ALDH1A1 (0.50) | BRD4AKT2TDO2KMT2AMAPT | |
| SCHEMBL26782066 | 0.79 | ESR2 (0.41) | BRD4AKT2TDO2KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4019520-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2022-06-29 | — | — | EP | disclosed |