Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12415509 | 0.82 | HTR2A (0.51) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL12230567 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL27450675 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL294031 | 0.77 | CYP1A2 (0.52) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL750558 | 0.77 | CA2 (0.52) | CYP1A2SLC1A3SLC1A2SLC1A1CA12 | |
| SCHEMBL171848 | 0.76 | CYP1A2 (0.55) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL2374771 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL1764709 | 0.76 | CA1 (0.57) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL31307180 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| Menaphthyl Sulfonate SCHEMBL294032 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2A6HTR2AHTR2CHTR2B |
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 10 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 |
| EP-2213166-A1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GmbH (DE) | 2010-08-04 | — | — | 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 |
| EP-2213166-B1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GMBH (DE) | 2012-03-21 | — | — | EP | disclosed |
| EP-2216372-A1 | Compounds for preventing Ghost odour | THOR GmbH (DE) | 2010-08-11 | — | — | EP | disclosed |
| EP-2213166-A1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GmbH (DE) | 2010-08-04 | — | — | EP | 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 |
| US-4018611-A | Non-yellowing antimicrobial compositions comprising diiodomethyl sulfones | METALORGANA ETABLISSEMENT (FL) | 1977-04-19 | — | — | 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 | CYP1A2 1586/4885CYP2A6 1549/4885HTR2A 2280/4885 |
“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.