Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 14/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL22229672 | 0.81 | GPR84 (0.57) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22256347 | 0.78 | CYP3A4 (0.32) | GPR84 | |
| SCHEMBL22256311 | 0.74 | MEN1 (0.35) | GPR84MEN1KMT2A | |
| SCHEMBL25489081 | 0.73 | GPR84 (0.36) | GPR84 | |
| SCHEMBL25485248 | 0.73 | GPR84 (0.36) | GPR84 | |
| SCHEMBL25490161 | 0.73 | GPR84 (0.37) | GPR84 | |
| SCHEMBL22256350 | 0.72 | — | — | |
| SCHEMBL13868304 | 0.67 | GPR84 (0.54) | GPR84MEN1KMT2AKDM4ERECQL | |
| SCHEMBL22256314 | 0.65 | — | — | |
| SCHEMBL22229673 | 0.65 | MEN1 (0.49) | GPR84MEN1KMT2A |
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-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 |