Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CACNA2D1 | P54289 | 6/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | LIPC | P11150 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL755601 | 0.78 | HPGD (0.39) | SMN1; SMN2HPGDALDH1A1NPC1RAB9A | |
| SCHEMBL5247746 | 0.71 | TP53 (0.59) | SMN1; SMN2HPGDDHFRALDH1A1TSHR | |
| SCHEMBL648541 | 0.70 | BCHE (0.42) | SMN1; SMN2HPGDTSHRBCHEPPARG | |
| SCHEMBL28107653 | 0.70 | HSD11B1 (0.50) | SMN1; SMN2HPGDCACNA2D1ALDH1A1LMNA | |
| SCHEMBL5137333 | 0.70 | BCHE (0.44) | SMN1; SMN2HPGDLMNATSHRBCHE | |
| SCHEMBL8359538 | 0.67 | CACNA2D1 (0.70) | CACNA2D1 | |
| SCHEMBL444779 | 0.67 | SMN1; SMN2 (0.49) | SMN1; SMN2HPGDALDH1A1LMNARAB9A | |
| SCHEMBL30338775 | 0.66 | RXRA (0.70) | SMN1; SMN2NOTUMMAPT | |
| SCHEMBL203120 | 0.66 | RXRA (0.70) | SMN1; SMN2NOTUMMAPT | |
| SCHEMBL29794061 | 0.65 | SMN1; SMN2 (0.49) | SMN1; SMN2HPGDCACNA2D1ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107162982-B | Imidazole compounds with anticancer activity and derivatives thereof | 广东药科大学 | 2020-02-11 | — | — | CN | disclosed |