Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | PNMT | P11086 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 1/20 | 0.37 |
| ▸ | GSTO1 | P78417 | 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 | |
|---|---|---|---|---|
| SCHEMBL31374431 | 0.78 | IDO1 (0.52) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL8372485 | 0.78 | IDO1 (0.52) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL752569 | 0.76 | PNMT (0.50) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL271305 | 0.76 | IDO1 (0.50) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL1714726 | 0.75 | PNMT (0.50) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL9421739 | 0.75 | GSTO1 (0.60) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL2377555 | 0.75 | IDO1 (0.48) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL2377549 | 0.75 | IDO1 (0.48) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL11702627 | 0.75 | IDO1 (0.48) | S100A9IDO1PNMTCYP3A4TAAR1 | |
| SCHEMBL754601 | 0.74 | LMNA (0.37) | TSHRKMT2A |
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-20100189811-A1 | Biocide compositions comprising 3-methylisothiazolin-3-one and a haloalkyl sulphone | THOR GMBH (DE) | 2010-07-29 | — | — | US | disclosed |
| US-20100186631-A1 | Compounds for preventing ghost odour | 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 | S100A9 1427/4885IDO1 310/4885PNMT 3270/4885 |
“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.