Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15952487 | 0.87 | ESR1 (0.41) | HTTTRPA1 | |
| SCHEMBL23255883 | 0.77 | ESR1 (0.59) | NPC1RAB9A | |
| SCHEMBL19019727 | 0.76 | IDO1 (0.42) | IDO1TDO2CYP17A1ACHEAOC3 | |
| SCHEMBL9854662 | 0.75 | CYP2A6 (0.40) | CYP19A1 | |
| SCHEMBL6420857 | 0.74 | TAAR1 (0.42) | TRPA1 | |
| SCHEMBL12027408 | 0.73 | IDO1 (0.46) | IDO1TDO2ACHEAOC3DAO | |
| SCHEMBL84956 | 0.73 | IDO1 (0.46) | IDO1TDO2ACHEAOC3DAO | |
| SCHEMBL7893366 | 0.73 | ESR1 (0.52) | IDO1TDO2CYP17A1ACHEAOC3 | |
| Ammonia Solution, Strong SCHEMBL7995946 | 0.70 | ESR1 (0.50) | IDO1TDO2CYP17A1ACHEAOC3 | |
| SCHEMBL21840890 | 0.70 | IDO1 (0.44) | IDO1TDO2CYP17A1ACHEAOC3 |
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-116444483-A | Preparation method of 1,3-dithiane substituted diene derivative | 兰州大学 | 2023-07-18 | — | — | CN | disclosed |