Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 4/20 | 0.38 |
| ▸ | CASP7 | P55210 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21553124 | 0.87 | HDAC6 (0.44) | HDAC6ALDH1A1CYP3A4HSD17B10GLA | |
| SCHEMBL23258582 | 0.87 | HDAC6 (0.44) | HDAC6ALDH1A1CYP3A4HSD17B10GLA | |
| SCHEMBL21564887 | 0.87 | SOS1 (0.36) | HDAC6ALDH1A1FSCN1BRD4NPSR1 | |
| SCHEMBL21552877 | 0.84 | KDM1A (0.45) | HDAC6 | |
| SCHEMBL21553024 | 0.83 | ALDH1A1 (0.45) | HDAC6ALDH1A1CYP3A4HSD17B10GLA | |
| SCHEMBL21552841 | 0.79 | HDAC6 (0.48) | HDAC6ALDH1A1CYP3A4HSD17B10GLA | |
| SCHEMBL21553012 | 0.78 | HDAC6 (0.43) | HDAC6ALDH1A1CYP3A4HSD17B10GLA | |
| SCHEMBL21564690 | 0.77 | BRD4 (0.38) | HDAC6ALDH1A1HSD17B10TSHRMAPK1 | |
| SCHEMBL21564541 | 0.76 | CYP11B1 (0.41) | HDAC6ALDH1A1FSCN1BRD4NPSR1 | |
| SCHEMBL23258706 | 0.76 | ALDH1A1 (0.41) | HDAC6ALDH1A1CYP3A4CYP2C19FSCN1 |
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-2019217972-A1 | KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE | IMAGO BIOSCIENCES, INC. (US) | 2019-11-14 | — | — | WO | disclosed |