Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557296 | 0.79 | SYK (0.53) | HSD17B1PKMMAPTNPC1SRD5A2 | |
| SCHEMBL9652658 | 0.74 | SRD5A2 (0.57) | NPC1RAB9APOLBSRD5A2ALDH1A1 | |
| SCHEMBL4557299 | 0.73 | SRD5A2 (0.50) | HSD17B1MAPTRAB9ASRD5A2MEN1 | |
| SCHEMBL25705868 | 0.71 | HSD17B1 (0.46) | HSD17B1PKMMAPTNPC1RAB9A | |
| SCHEMBL18685194 | 0.71 | ROCK2 (0.54) | — | |
| SCHEMBL3279437 | 0.70 | PKM (0.57) | HSD17B1PKMMAPTNPC1RAB9A | |
| SCHEMBL6959864 | 0.70 | MAPT (0.57) | HSD17B1MAPTS100A4ALDH1A1KMT2A | |
| SCHEMBL6884735 | 0.70 | RXRA (0.51) | HSD17B1POLBSRD5A2 | |
| SCHEMBL1859697 | 0.70 | PKM (0.67) | HSD17B1PKMMAPTNPC1RAB9A | |
| SCHEMBL2635961 | 0.69 | BCL2 (0.50) | MAPTRAB9APOLBSRD5A2ALDH1A1 |
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-113416138-A | Henry type reaction method of iron mediated aldehyde and bromonitromethane and product | 南京工业大学 | 2021-09-21 | — | — | CN | disclosed |