Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600037 | 0.76 | ESR1 (0.50) | ESR1HSD11B1THRATHRBCA2 | |
| SCHEMBL751561 | 0.75 | ALDH1A1 (0.55) | HSD11B1CA2CA1ACHEUSP2 | |
| SCHEMBL9423906 | 0.75 | ESR1 (0.48) | ESR1HSD11B1THRATHRBCNR2 | |
| SCHEMBL18701019 | 0.75 | ALDH1A1 (0.55) | ESR1HSD11B1THRATHRBCNR2 | |
| SCHEMBL11100709 | 0.75 | ESR1 (0.54) | ESR1HSD11B1THRATHRBCA2 | |
| SCHEMBL12315287 | 0.75 | PSIP1 (0.59) | ESR1HSD11B1THRATHRBCNR2 | |
| SCHEMBL8338766 | 0.75 | CA2 (0.61) | CA2CA1CA7CA14USP2 | |
| SCHEMBL6685103 | 0.72 | ESR1 (0.74) | ESR1HSD11B1THRATHRBBCHE | |
| SCHEMBL9969450 | 0.72 | ALDH1A1 (0.58) | ESR1HSD11B1CA2CA1GHSR | |
| SCHEMBL22147220 | 0.72 | HTR6 (0.55) | ESR1HSD11B1PSIP1SMN1; SMN2ALDH1A1 |
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 5 patents. 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 |
| US-20100189811-A1 | Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone | THOR GMBH (DE) | 2010-07-29 | — | — | US | claimed |
| US-8287631-B2 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20100186631-A1 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2010-07-29 | — | — | US | disclosed |
| US-20100189811-A1 | Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone | THOR GMBH (DE) | 2010-07-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100189811-A1 | Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone | MBTD1, MPST, B2M | ESR1 4585/4885HSD11B1 462/4885THRA 4638/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.