Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.35 |
| ▸ | RXRA | P19793 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 3/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL22256331 | 0.82 | MEN1 (0.52) | CYP11B2BRD4CREBBPFFAR1RXRA | |
| SCHEMBL22256328 | 0.81 | L3MBTL1 (0.30) | BRD4CREBBPFFAR1L3MBTL1 | |
| SCHEMBL22229722 | 0.76 | GPR84 (0.42) | CYP11B2BRD4CREBBPFFAR1RXRA | |
| SCHEMBL22229757 | 0.75 | SLC6A2 (0.36) | MEN1KMT2ADRD2DRD1ERN1 | |
| SCHEMBL22229732 | 0.75 | MEN1 (0.46) | MEN1KMT2A | |
| SCHEMBL22229815 | 0.75 | GPR84 (0.37) | BRD4CREBBPFFAR1TGFBR1FYN | |
| SCHEMBL22256340 | 0.73 | MEN1 (0.34) | MEN1KMT2A | |
| SCHEMBL22229675 | 0.70 | ALDH1A1 (0.33) | MEN1KMT2A | |
| SCHEMBL21615685 | 0.70 | PDE4B (0.45) | MEN1KMT2A | |
| SCHEMBL22229659 | 0.69 | DHFR (0.39) | MEN1KMT2ADRD2DRD1L3MBTL1 |
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 4 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-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-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 |