Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLCG1 | P19174 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL754036 | 0.80 | KMT2A (0.43) | CA2CA1CA9CA12IDO1 | |
| SCHEMBL751657 | 0.80 | CA1 (0.40) | CA2CA1CA9CA12CA4 | |
| SCHEMBL753679 | 0.75 | LOXL2 (0.52) | CA2CA1CA9CA12CA4 | |
| SCHEMBL754797 | 0.75 | APLNR (0.49) | CA2CA1CA9CA12IDO1 | |
| SCHEMBL754849 | 0.75 | TAAR1 (0.46) | CA2CA1CA9TAAR1EGFR | |
| SCHEMBL25245166 | 0.71 | CA2 (0.44) | PLCG1CA2CA1CA9CA12 | |
| SCHEMBL755591 | 0.71 | TDP1 (0.38) | CA2CA1CA9CA12CA7 | |
| SCHEMBL752230 | 0.71 | FDPS (0.50) | TAAR1IDO1TSHR | |
| SCHEMBL9421744 | 0.70 | FAAH (0.60) | PLCG1CA2CA1CA9CA12 | |
| SCHEMBL20535614 | 0.70 | KMT2A (0.48) | CA2CA1CA9CA12CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2213166-B1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GMBH (DE) | 2012-03-21 | — | — | EP | claimed |