Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL22256420 | 1.00 | BRD4 (0.32) | BRD4CREBBPL3MBTL1FFAR1GPR84 | |
| SCHEMBL22229722 | 0.80 | GPR84 (0.42) | BRD4CREBBPFFAR1GPR84 | |
| SCHEMBL22256393 | 0.80 | CYP3A4 (0.33) | — | |
| SCHEMBL22256499 | 0.78 | MEN1 (0.35) | GPR84 | |
| SCHEMBL25486525 | 0.76 | — | — | |
| SCHEMBL22256389 | 0.75 | FFAR1 (0.34) | FFAR1GPR84 | |
| SCHEMBL22256390 | 0.74 | FFAR1 (0.35) | BRD4CREBBPFFAR1GPR84 | |
| SCHEMBL22256288 | 0.73 | — | — | |
| SCHEMBL25485234 | 0.73 | DGAT2 (0.32) | BRD4CREBBPL3MBTL1 | |
| SCHEMBL25485313 | 0.72 | DGAT2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-20200234798-A1 | EXTRAPOLATIVE PREDICTION OF ENANTIOSELECTIVITY ENABLED BY COMPUTER-DRIVEN WORKFLOW, NEW MOLECULAR REPRESENTATIONS AND MACHINE LEARNING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-07-23 | — | — | US | disclosed |