Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | ITPR1 | Q14643 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19786485 | 0.89 | KMT2A (0.67) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL14940077 | 0.86 | KMT2A (0.67) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL31713966 | 0.85 | KMT2A (0.66) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL29441770 | 0.84 | KMT2A (1.00) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL29385360 | 0.84 | KMT2A (1.00) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL113945 | 0.84 | KMT2A (1.00) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL16192994 | 0.83 | KMT2A (0.66) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL27740724 | 0.83 | KMT2A (0.97) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL19876090 | 0.83 | KMT2A (0.97) | KMT2AMEN1ITPR1KDM4EALDH1A1 | |
| SCHEMBL27758819 | 0.83 | KMT2A (0.97) | KMT2AMEN1ITPR1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117457312-A | Magnetic molecular probe for specifically capturing metabolites from complex sample, and preparation method and application thereof | 中国医学科学院基础医学研究所 | 2024-01-26 | — | — | CN | claimed |
| CN-117457312-A | Magnetic molecular probe for specifically capturing metabolites from complex sample, and preparation method and application thereof | 中国医学科学院基础医学研究所 | 2024-01-26 | — | — | CN | disclosed |