Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 2/20 | 0.31 |
| ▸ | EDNRA | P25101 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | HBB | P68871 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL753693 | 0.81 | RAPGEF4 (0.37) | CA1CA2KMT2AMAPTALDH1A1 | |
| SCHEMBL750643 | 0.78 | FLT1 (0.36) | FLT1FLT4KDRS100A4KMT2A | |
| SCHEMBL751642 | 0.78 | ALDH1A1 (0.42) | CA1CA2KMT2AMAPTALDH1A1 | |
| SCHEMBL753815 | 0.72 | TSHR (0.38) | CA1CA2KMT2AALDH1A1MEN1 | |
| SCHEMBL12083401 | 0.71 | PTGDR2 (0.40) | CA1CA2MAPTHCAR1ALDH1A1 | |
| SCHEMBL4472584 | 0.70 | RAB9A (0.38) | CA1CA2KMT2AMAPTALDH1A1 | |
| SCHEMBL29426988 | 0.70 | KDM1A (0.42) | CA1CA2HCAR1ALDH1A1 | |
| SCHEMBL869450 | 0.70 | KDM1A (0.42) | CA1CA2HCAR1ALDH1A1 | |
| SCHEMBL24633610 | 0.68 | PDE2A (0.36) | CA1CA2HTR7KMT2AMAPT | |
| SCHEMBL19859263 | 0.68 | PDE2A (0.36) | CA1CA2HTR7KMT2AMAPT |
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 |