Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17436482 | 0.85 | GPR84 (0.54) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL13868304 | 0.81 | GPR84 (0.54) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22229709 | 0.78 | MEN1 (0.49) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL3921033 | 0.78 | MEN1 (0.37) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL29733041 | 0.77 | MEN1 (0.39) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL3919802 | 0.77 | GPR84 (0.43) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL13436102 | 0.77 | MEN1 (0.34) | GPR84MEN1KMT2AKDM4E | |
| SCHEMBL22256288 | 0.77 | — | — | |
| SCHEMBL22256419 | 0.77 | MEN1 (0.36) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL25484835 | 0.77 | MEN1 (0.39) | GPR84MEN1KMT2AKDM4ERECQL |
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 |