Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.71 |
| ▸ | TP53 | P04637 | 3/20 | 0.71 |
| ▸ | MAPT | P10636 | 3/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | STAT3 | P40763 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.71 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.71 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | FOXO3 | O43524 | 1/20 | 0.71 |
| ▸ | MITF | O75030 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.71 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.71 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.71 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.71 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL173087 | 0.95 | ALDH1A1 (0.78) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL98548 | 0.91 | ALDH1A1 (0.71) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL19295194 | 0.86 | ALDH1A1 (0.80) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL15444232 | 0.84 | ALDH1A1 (0.77) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL173090 | 0.84 | ALDH1A1 (0.83) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| Piplartine SCHEMBL2465593 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| Piplartine SCHEMBL173092 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| (Z)-Piplartine SCHEMBL30013548 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL173089 | 0.83 | ALDH1A1 (0.75) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL15444220 | 0.83 | ALDH1A1 (0.75) | ALDH1A1TP53MAPTSMN1; SMN2HSD17B10 |
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-2012030408-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CANCER | CANTHERA THERAPEUTICS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |