Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | HPGD | P15428 | 4/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | GLA | P06280 | 1/20 | 0.63 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.55 |
| ▸ | WDR5 | P61964 | 1/20 | 0.52 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TYMS | P04818 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350533 | 0.94 | HSD17B10 (0.64) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| SCHEMBL242958 | 0.94 | HSD17B10 (0.64) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| SCHEMBL8601022 | 0.92 | NR4A1 (0.59) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| SCHEMBL28673575 | 0.92 | HSD17B10 (0.62) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| Ammonia Solution, Strong SCHEMBL31590520 | 0.92 | HSD17B10 (0.62) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL8600808 | 0.92 | HSD17B10 (0.62) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| Methyl Alcohol SCHEMBL28488780 | 0.91 | ALDH1A1 (0.60) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| Formaldehyde SCHEMBL28435516 | 0.91 | HSD17B10 (0.60) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| SCHEMBL19177661 | 0.87 | NR4A1 (0.53) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E | |
| SCHEMBL29675165 | 0.87 | HSD17B10 (0.55) | ALDH1A1HSD17B10KMT2ACYP1A2KDM4E |
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-100418947-C | Hybrid onium salts | WAKO PURE CHEM IND LTD (JP) | 2008-09-17 | — | — | CN | disclosed |