Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14473923 | 0.84 | KDM4E (0.49) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| Trifluoroacetic Acid SCHEMBL5622863 | 0.78 | KDM4E (0.44) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| Trifluoroacetic Acid SCHEMBL5622861 | 0.78 | KDM4E (0.44) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL869935 | 0.78 | KDM4E (0.67) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL13713834 | 0.77 | MEN1 (0.50) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL12919918 | 0.76 | MCL1 (0.61) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| Ammonia Solution, Strong SCHEMBL5622855 | 0.75 | KDM4E (0.42) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL13713840 | 0.75 | MEN1 (0.47) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL12221067 | 0.75 | CYP3A4 (0.53) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL12920147 | 0.74 | ALDH1A1 (0.49) | KDM4EALDH1A1HSD17B10HPGDHTT |
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-2018107236-A1 | NOVEL COMPOUNDS AS ANTI-MYCOBACTERIALS | THE UNIVERSITY OF SYDNEY (AU) | 2018-06-21 | — | — | WO | disclosed |