Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL244194 | 0.86 | MAPK1 (0.56) | CYP1A2MAPK1CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28431017 | 0.80 | MAPT (0.42) | ALDH1A1SMN1; SMN2LMNAMAPTTSHR | |
| SCHEMBL28284102 | 0.74 | LMNA (0.41) | CYP1A2MAPK1CYP2C19ALDH1A1KDM4E | |
| SCHEMBL537294 | 0.73 | KDM4E (0.49) | CYP1A2MAPK1CYP2C19ALDH1A1KDM4E | |
| SCHEMBL22897171 | 0.73 | ALDH1A1 (0.56) | MAPK1ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL29083293 | 0.72 | XDH (0.42) | CYP1A2MAPK1CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL17111108 | 0.72 | CYP1A2 (0.50) | CYP1A2MAPK1CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28227470 | 0.72 | LOXL2 (0.42) | CYP1A2MAPK1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL28395393 | 0.71 | MAPT (0.57) | CYP1A2MAPK1CYP2C19ALDH1A1KDM4E | |
| SCHEMBL28226658 | 0.71 | PTGS2 (0.54) | CYP1A2CYP2C19ALDH1A1KDM4ESMN1; SMN2 |
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 |