Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.53 |
| ▸ | BRD2 | P25440 | 2/20 | 0.53 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.53 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22109760 | 0.93 | KDM4E (0.57) | BRD4KDM4ETSHRHSD17B10NPSR1 | |
| SCHEMBL22109904 | 0.92 | TPH1 (0.51) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL22109616 | 0.92 | BRD4 (0.51) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL22105779 | 0.85 | BRD4 (0.53) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL22109758 | 0.84 | KDM4E (0.56) | BRD4KDM4ETSHRHSD17B10NPSR1 | |
| SCHEMBL22105408 | 0.84 | BRD4 (0.52) | BRD4BRD2BRD3BRDTKDM4E | |
| SCHEMBL22109903 | 0.83 | TPH1 (0.51) | BRDTKDM4ETSHRHSD17B10NPSR1 | |
| SCHEMBL22109905 | 0.80 | ALDH1A1 (0.51) | BRD4KDM4ETSHRHSD17B10NPSR1 | |
| SCHEMBL22109856 | 0.78 | MEN1 (0.56) | BRD4KDM4ETSHRHSD17B10NPSR1 | |
| SCHEMBL22105566 | 0.77 | BRD4 (0.59) | BRD4BRD2BRD3BRDTKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3894409-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2020120449-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |