Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 17/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22256370 | 0.85 | MEN1 (0.37) | MEN1KMT2AGPR84 | |
| SCHEMBL25485173 | 0.85 | MEN1 (0.37) | MEN1KMT2AGPR84 | |
| SCHEMBL25658393 | 0.82 | MEN1 (0.46) | MEN1KMT2AGPR84KDM4E | |
| SCHEMBL22256311 | 0.80 | MEN1 (0.35) | MEN1KMT2AGPR84 | |
| SCHEMBL13868304 | 0.80 | GPR84 (0.54) | MEN1KMT2AGPR84KDM4ERECQL | |
| SCHEMBL25484967 | 0.80 | GPR84 (0.44) | MEN1KMT2AGPR84KDM4ERECQL | |
| SCHEMBL25484835 | 0.80 | MEN1 (0.39) | MEN1KMT2AGPR84KDM4ERECQL | |
| SCHEMBL29733041 | 0.80 | MEN1 (0.39) | MEN1KMT2AGPR84KDM4ERECQL | |
| SCHEMBL22256499 | 0.78 | MEN1 (0.35) | MEN1KMT2AGPR84 | |
| SCHEMBL22229688 | 0.78 | GPR84 (0.38) | MEN1KMT2AGPR84KDM4ERECQL |
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 5 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 |
| 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 |