Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20503234 | 0.78 | KMT2A (0.47) | ALDH1A1LMNACYP2C9MAPTHTT | |
| SCHEMBL10663480 | 0.75 | ALDH1A1 (0.33) | ACMSDHSD17B10KDM4EGAAHPGD | |
| SCHEMBL8140023 | 0.74 | KDM4E (0.39) | HSD17B10KDM4EGAAHPGDALDH1A1 | |
| SCHEMBL8138563 | 0.74 | KMT2A (0.39) | HPGDALDH1A1LMNAMAPT | |
| SCHEMBL28334931 | 0.73 | PPARA (0.40) | — | |
| SCHEMBL30445691 | 0.73 | KMT2A (0.44) | ALDH1A1LMNACYP2C9MAPTHTT | |
| SCHEMBL9824084 | 0.72 | ALDH1A1 (0.34) | HSD17B10KDM4EGAAHPGDRXRA | |
| SCHEMBL27700768 | 0.72 | GAA (0.38) | ACMSDKDM4EGAARXRACCR2 | |
| Cyclohexene SCHEMBL28625904 | 0.71 | KDM4E (0.42) | HSD17B10KDM4EGAAHPGDRXRA | |
| SCHEMBL3409037 | 0.71 | HDAC4 (0.39) | ACMSDHPGDGSTP1HCAR2ALDH1A1 |
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-109422612-B | Synthetic method of aromatic hydrocarbon compound | 中国科学院大连化学物理研究所 | 2021-08-10 | — | — | CN | disclosed |