Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.46 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | 0.87 | KDM4E (0.57) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20652779 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22105713 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22109617 | 0.80 | BRD4 (0.53) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20652980 | 0.79 | KDM4E (0.53) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22109904 | 0.79 | TPH1 (0.51) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22109758 | 0.78 | KDM4E (0.56) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL20652781 | 0.76 | ALDH1A1 (0.54) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22105376 | 0.75 | TP53 (0.49) | ALDH1A1MAPTPKMMCL1KDM4E | |
| SCHEMBL22109857 | 0.72 | MTOR (0.34) | ALDH1A1KDM4ETSHRHSD17B10MEN1 |
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 |