Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 3/20 | 0.64 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 7/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | FBP1 | P09467 | 1/20 | 0.54 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6802646 | 0.84 | ERBB2 (0.77) | WDR5HSD17B2MEN1KMT2AALDH1A1 | |
| SCHEMBL3260752 | 0.84 | MEN1 (0.62) | HSD17B2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9942107 | 0.83 | HSD17B2 (0.61) | HSD17B2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL28326526 | 0.83 | MEN1 (0.56) | MEN1KMT2AALDH1A1GAAHTT | |
| SCHEMBL9927441 | 0.83 | FBP1 (0.56) | MEN1KMT2AALDH1A1PKMERBB2 | |
| SCHEMBL9775395 | 0.82 | WDR5 (0.68) | WDR5HSD17B2MEN1KMT2AALDH1A1 | |
| SCHEMBL14434211 | 0.79 | WDR5 (0.61) | WDR5HSD17B2MEN1KMT2AALDH1A1 | |
| SCHEMBL3260612 | 0.79 | HKDC1 (0.66) | MEN1KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL29858930 | 0.78 | WDR5 (1.00) | WDR5HSD17B2MEN1KMT2AALDH1A1 | |
| SCHEMBL10013441 | 0.78 | MEN1 (0.60) | MEN1KMT2AALDH1A1LMNAGAA |
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-110452183-A | A kind of preparation method of chiral heterocycle compound | SHANGHAI INST ORGANIC CHEMISTRY CAS | 2019-11-15 | — | — | CN | disclosed |