Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | HTT | P42858 | 2/20 | 0.68 |
| ▸ | PLAU | P00749 | 1/20 | 0.67 |
| ▸ | TOP2A | P11388 | 1/20 | 0.65 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 5/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3566775 | 0.86 | PRMT3 (0.72) | MAPTGAAHTTPLAUTOP2A | |
| SCHEMBL7827432 | 0.86 | PLAU (0.59) | CYP1A2MAPTGAAHTTPLAU | |
| SCHEMBL13675972 | 0.85 | TRPV1 (0.62) | CYP1A2MAPTGAAHTTPLAU | |
| SCHEMBL13990189 | 0.84 | CYP1A2 (1.00) | CYP1A2MAPTGAAMEN1KMT2A | |
| SCHEMBL2164137 | 0.84 | PRMT3 (0.69) | MAPTGAAHTTPLAUTOP2A | |
| SCHEMBL3096584 | 0.82 | CYP1A2 (0.73) | CYP1A2MAPTGAAHTTMEN1 | |
| SCHEMBL1996378 | 0.81 | HCAR2 (0.60) | CYP1A2MAPTGAAHTTTOP2A | |
| SCHEMBL3061430 | 0.81 | MAPT (1.00) | MAPTGAAHTTMEN1KMT2A | |
| SCHEMBL15988495 | 0.81 | MAPT (0.58) | MAPTGAAHTTPLAUTOP2A | |
| SCHEMBL21294247 | 0.81 | SMN1; SMN2 (0.80) | CYP1A2MAPTGAAHTTMEN1 |
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-110066254-B | Preparation method of isothiazole-3-ketone compound | 温州大学 | 2021-03-19 | — | — | CN | disclosed |