Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL20682263 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTPNMTHPGD | |
| SCHEMBL754517 | 0.78 | TAAR1 (0.41) | ALDH1A1HPGDTSHRIDO1LMNA | |
| SCHEMBL753830 | 0.78 | IDO1 (0.46) | ALDH1A1MAPTKMT2ANPC1IDO1 | |
| SCHEMBL1194386 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTPNMTHPGD | |
| SCHEMBL753514 | 0.77 | ALDH1A1 (0.44) | ALDH1A1HPGDKMT2AIDO1LMNA | |
| SCHEMBL3028541 | 0.75 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTPNMTHPGD | |
| SCHEMBL5963 | 0.75 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTPNMTHPGD | |
| SCHEMBL24011712 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTPNMTHPGD | |
| SCHEMBL513342 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTPNMTHPGD | |
| SCHEMBL496738 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTPNMTHPGD |
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 553/4885KDM4E 3357/4885MAPT 2308/4885 |
“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.