Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14942315 | 0.88 | APP (0.35) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 | |
| SCHEMBL9854842 | 0.88 | TRPM8 (0.41) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 | |
| SCHEMBL14942597 | 0.88 | ALDH1A1 (0.32) | ALDH1A1KDM4ECYP17A1CYP3A4CYP2C9 | |
| SCHEMBL456036 | 0.87 | CYP2C9 (0.38) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 | |
| SCHEMBL9854911 | 0.86 | ALOX5 (0.36) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 | |
| SCHEMBL14942313 | 0.85 | KDM4E (0.30) | ALDH1A1KDM4ECYP17A1CYP3A4CYP2C9 | |
| SCHEMBL4131407 | 0.82 | CYP17A1 (0.33) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4125025 | 0.82 | CHRNA3 (0.34) | — | |
| SCHEMBL2759088 | 0.82 | AAK1 (0.42) | KDM4ECYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2759086 | 0.81 | TSHR (0.39) | ALDH1A1KDM4ERECQLMAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445691-B2 | Heterocyclic thiosubstituted alkanol derivatives | BAYER CROPSCIENCE AG (DE) | 2013-05-21 | — | — | US | disclosed |
| US-8445691-B2 | Heterocyclic thiosubstituted alkanol derivatives | BAYER CROPSCIENCE AG (DE) | 2013-05-21 | — | — | US | disclosed |
| US-8440836-B2 | Heterocyclic alkanol derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-14 | — | — | US | disclosed |
| US-8440836-B2 | Heterocyclic alkanol derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-14 | — | — | US | disclosed |
| US-20120065062-A1 | Novel Heterocyclic Alkanol Derivatives | BAYER CROPSCIENCE AG (DE) | 2012-03-15 | — | — | US | disclosed |
| US-20120065062-A1 | Novel Heterocyclic Alkanol Derivatives | BAYER CROPSCIENCE AG (DE) | 2012-03-15 | — | — | US | disclosed |
| US-20120035051-A1 | Novel Heterocyclic Thiosubstituted Alkanol Derivatives | BAYER CROPSCIENCE AG (DE) | 2012-02-09 | — | — | US | disclosed |
| US-20120035051-A1 | Novel Heterocyclic Thiosubstituted Alkanol Derivatives | BAYER CROPSCIENCE AG (DE) | 2012-02-09 | — | — | US | disclosed |
| WO-2011147814-A1 | HETEROCYCLIC ALKANOL DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2011-12-01 | — | — | WO | 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 (2 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-20120035051-A1 | Novel Heterocyclic Thiosubstituted Alkanol Derivatives | MYB, BLVRB, MYCBP | ALDH1A1 2297/4885KDM4E 2266/4885CYP17A1 3683/4885 |
| US-20120065062-A1 | Novel Heterocyclic Alkanol Derivatives | ERG28, CBR3, MYB | ALDH1A1 778/4885KDM4E 1561/4885CYP17A1 2729/4885 |
“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.