Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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) | GAACYP3A4MAPK1TDP1CASR | |
| SCHEMBL752097 | 0.78 | CA1 (0.36) | FLT1FLT4KDRALDH1A1S100A4 | |
| SCHEMBL751642 | 0.78 | ALDH1A1 (0.42) | GAACYP3A4TSHRTDP1FFAR4 | |
| SCHEMBL11764642 | 0.73 | KIF18A (0.50) | FLT1FLT4KDRTSHRMAPK1 | |
| SCHEMBL753815 | 0.72 | TSHR (0.38) | CYP3A4TSHRCASRALDH1A1SMN1; SMN2 | |
| SCHEMBL8220436 | 0.71 | CYP3A4 (0.43) | GAACYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL11320386 | 0.71 | CYP3A4 (0.60) | GAACYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL3894448 | 0.70 | HTT (0.41) | CYP3A4TSHRMAPK1TDP1CASR | |
| SCHEMBL24093497 | 0.68 | CASR (0.41) | GAACYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL16579367 | 0.68 | CYP3A4 (0.45) | GAACYP3A4TSHRMAPK1TDP1 |
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 |