Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 19/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22229793 | 0.95 | GPR84 (0.56) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL25485162 | 0.93 | GPR84 (0.53) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL25484980 | 0.88 | GPR84 (0.52) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22256379 | 0.88 | GPR84 (0.53) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22256318 | 0.79 | GPR84 (0.38) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22256377 | 0.76 | GPR84 (0.36) | GPR84MEN1KMT2AKDM4E | |
| SCHEMBL22229725 | 0.75 | POLQ (0.41) | — | |
| SCHEMBL3917764 | 0.73 | GPR84 (0.84) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22229731 | 0.72 | GPR84 (0.69) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22229683 | 0.72 | POLQ (0.39) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |