Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | RBBP9 | O75884 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11211040 | 0.98 | TDP1 (0.42) | TDP1HSD17B10SMN1; SMN2CES2CES1 | |
| SCHEMBL6141432 | 0.93 | — | — | |
| SCHEMBL13908821 | 0.83 | TDP1 (0.34) | TDP1HSD17B10SMN1; SMN2HTTKMT2A | |
| SCHEMBL28942386 | 0.82 | HSD17B10 (0.44) | TDP1HSD17B10ALDH1A1EPHX1 | |
| SCHEMBL776017 | 0.81 | ALDH1A1 (0.43) | TDP1HSD17B10SMN1; SMN2CES2CES1 | |
| SCHEMBL3483076 | 0.81 | SMN1; SMN2 (0.46) | TDP1SMN1; SMN2CES2CES1HTT | |
| SCHEMBL424405 | 0.81 | SMN1; SMN2 (0.40) | TDP1SMN1; SMN2CES2CES1HTT | |
| SCHEMBL386768 | 0.80 | CES2 (0.50) | TDP1SMN1; SMN2CES2CES1HTT | |
| SCHEMBL12517329 | 0.79 | CES2 (0.46) | TDP1SMN1; SMN2CES2CES1HTT | |
| SCHEMBL3483420 | 0.79 | SMN1; SMN2 (0.48) | TDP1SMN1; SMN2CES2CES1HTT |
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-115724797-A | Fluoroalkylated 3, 4-polysubstituted dihydroisoquinoline skeleton novel compound and preparation method thereof | 兰州大学 | 2023-03-03 | — | — | CN | disclosed |