Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL753729 | 0.77 | ALDH1A1 (0.46) | IDO1KMT2ANPC1ALDH1A1MAPT | |
| SCHEMBL11361556 | 0.74 | GGPS1 (0.56) | GGPS1IDO1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL3030149 | 0.73 | GGPS1 (0.56) | GGPS1IDO1MEN1KMT2ACYP3A4 | |
| SCHEMBL6886022 | 0.72 | GGPS1 (0.55) | GGPS1IDO1MEN1KMT2ACYP3A4 | |
| SCHEMBL1625791 | 0.72 | IDO1 (0.54) | GGPS1IDO1MEN1KMT2ACYP3A4 | |
| SCHEMBL271766 | 0.71 | IDO1 (0.52) | GGPS1IDO1MEN1KMT2ACYP3A4 | |
| SCHEMBL754038 | 0.70 | PNMT (0.47) | IDO1CYP3A4HTT | |
| SCHEMBL3030151 | 0.69 | GGPS1 (0.56) | GGPS1IDO1MEN1KMT2ACYP3A4 | |
| SCHEMBL5615558 | 0.69 | IDO1 (0.50) | GGPS1IDO1MEN1KMT2ACYP3A4 | |
| SCHEMBL19223473 | 0.69 | IDO1 (0.55) | GGPS1IDO1MEN1KMT2ACYP3A4 |
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 |