Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28292159 | 0.82 | POLB (0.46) | POLBMAPTHPGDTSHRHSD17B10 | |
| SCHEMBL4764754 | 0.82 | HMGCR (0.72) | HMGCRMAPTGAACYP3A4KMT2A | |
| SCHEMBL382778 | 0.81 | HPGD (0.55) | POLBMAPTHPGDTSHRHSD17B10 | |
| SCHEMBL17948554 | 0.81 | CYP3A4 (0.47) | POLBMAPTHPGDTSHRHSD17B10 | |
| SCHEMBL382174 | 0.79 | GAA (0.50) | POLBMAPTHPGDTSHRHSD17B10 | |
| SCHEMBL4248920 | 0.79 | HIF1A (0.46) | POLBHPGDTSHRGAAKMT2A | |
| SCHEMBL19638379 | 0.79 | GAA (0.39) | POLBMAPTHPGDTSHRHSD17B10 | |
| SCHEMBL28118962 | 0.79 | CTSD (0.50) | POLBMAPTHPGDTSHRHSD17B10 | |
| SCHEMBL8893882 | 0.77 | HMGCR (0.56) | HMGCRCYP3A4KMT2AMEN1 | |
| SCHEMBL27675292 | 0.76 | HMGCR (0.54) | HMGCRTSHRCYP3A4KMT2AMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109879732-A | A kind of preparation method of 1- (5- isopropyl -2,4- Dimethoxyphenyl) ethyl ketone | 上海卡洛化学有限公司 | 2019-06-14 | — | — | CN | claimed |
| CN-109879732-A | A kind of preparation method of 1- (5- isopropyl -2,4- Dimethoxyphenyl) ethyl ketone | 上海卡洛化学有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109879732-A | A kind of preparation method of 1- (5- isopropyl -2,4- Dimethoxyphenyl) ethyl ketone | 上海卡洛化学有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109879732-A | A kind of preparation method of 1- (5- isopropyl -2,4- Dimethoxyphenyl) ethyl ketone | 上海卡洛化学有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-107108591-A | It is used as the resorcinol analog derivative of HSP90 inhibitor | 正大天晴药业集团股份有限公司 | 2017-08-29 | — | — | CN | disclosed |