Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | USP1 | O94782 | 9/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TPH1 | P17752 | 1/20 | 0.37 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20656165 | 0.93 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20653055 | 0.84 | MDM2 (0.44) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20652960 | 0.79 | TP53 (0.42) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20653050 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20652772 | 0.78 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20652967 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20653046 | 0.77 | KDM4E (0.49) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20653129 | 0.76 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL20652748 | 0.76 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL24095606 | 0.69 | MDM2 (0.43) | USP1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019011802-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |