Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15690079 | 0.80 | NPSR1 (0.43) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL27355637 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL5790081 | 0.69 | NPSR1 (0.40) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL27567602 | 0.68 | BRD4 (0.38) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL868038 | 0.68 | TSHR (0.39) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL5788287 | 0.67 | JAK2 (0.41) | ALDH1A1KDM4EHPGDHTTRECQL | |
| Hydrochloric Acid SCHEMBL25427971 | 0.67 | TSHR (0.38) | ALDH1A1KDM4EHPGDHTTRECQL | |
| SCHEMBL11163748 | 0.67 | NPSR1 (0.41) | ALDH1A1KDM4EHPGDMAPTLMNA | |
| SCHEMBL368898 | 0.67 | HSD17B10 (0.53) | ALDH1A1KDM4EHPGDTSHRMAPT | |
| SCHEMBL18021976 | 0.67 | NPSR1 (0.52) | ALDH1A1KDM4EHPGDTSHRMAPT |
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-2696683-A1 | COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS | Alzheimer's Institute of America, Inc. (US) | 2014-02-19 | — | — | EP | disclosed |
| WO-2012142329-A1 | COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS | MYREXIS, INC. (US) | 2012-10-18 | — | — | WO | disclosed |