Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA3 | P07451 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA6 | P23280 | 3/20 | 0.50 |
| ▸ | CA5A | P35218 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | MMP2 | P08253 | 4/20 | 0.45 |
| ▸ | MMP9 | P14780 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL217302 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPK1CA2CA1 | |
| SCHEMBL5200207 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPK1CA2CA1 | |
| SCHEMBL536323 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAPK1CA2CA1 | |
| SCHEMBL751183 | 0.76 | GAA (0.54) | ALDH1A1CYP3A4CA2CA1CA12 | |
| SCHEMBL9849677 | 0.75 | HTR6 (0.50) | ALDH1A1CA2CA1CA12CA9 | |
| SCHEMBL8745502 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAPK1CA2CA1 | |
| SCHEMBL21515839 | 0.73 | CA1 (0.52) | ALDH1A1CYP3A4MAPK1CA2CA1 | |
| SCHEMBL6543473 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1CA2CA1 | |
| SCHEMBL6544686 | 0.73 | TDP1 (0.50) | ALDH1A1CYP3A4MAPK1CA2CA1 | |
| SCHEMBL4315677 | 0.72 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1CA2CA1 |
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 | ALDH1A1 553/4885CYP3A4 1279/4885MAPK1 3917/4885 |
“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.