Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | MARS1 | P56192 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28425661 | 0.80 | CYP1A2 (0.47) | MAPTTSHRLMNATP53ALDH1A1 | |
| SCHEMBL1826994 | 0.72 | CYP1A2 (0.56) | MAPTMAPK14TSHRLMNATP53 | |
| SCHEMBL2318517 | 0.71 | KDM4E (0.40) | MAPTMAPK14ALDH1A1SMN1; SMN2 | |
| SCHEMBL28227446 | 0.69 | USP7 (0.39) | MAPTMAPK14LMNAALDH1A1 | |
| SCHEMBL15428768 | 0.67 | MAPK14 (0.44) | MAPTMAPK14TSHRSCN5ASCN9A | |
| SCHEMBL1408413 | 0.67 | NR1I2 (0.42) | MAPTMAPK14LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL29394648 | 0.67 | NR1I2 (0.42) | MAPTMAPK14LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL28400665 | 0.66 | LMNA (0.65) | MAPTTSHRLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL16794534 | 0.66 | PTGS2 (0.48) | MAPTMAPK14SCN9ATP53ALDH1A1 | |
| SCHEMBL27620331 | 0.65 | APLNR (0.46) | MAPTMAPK14ALDH1A1DRD2DRD4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109320508-B | Compound with isothiazolinone and N-arylpyrazole structure and preparation method and application thereof | 南京工业大学 | 2020-07-17 | — | — | CN | disclosed |
| CN-109320508-A | Compound with isothiazolinone and N-arylpyrazole structure and preparation method and application thereof | 南京工业大学 | 2019-02-12 | — | — | CN | disclosed |