Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | APP | P05067 | 6/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL122572 | 0.77 | CYP2A6 (0.58) | CYP2A6PTPN2ADRB2ASIC3LOXL2 | |
| SCHEMBL9374785 | 0.74 | CYP2A6 (0.60) | CYP2A6PTPN2ASIC3LOXL2CA2 | |
| SCHEMBL16398343 | 0.74 | CYP2A6 (0.55) | CYP2A6PTPN2ADRB2ASIC3LOXL2 | |
| SCHEMBL13779418 | 0.73 | APP (0.39) | APPEGFRTERTPSMB5INSR | |
| SCHEMBL11485426 | 0.73 | CYP2A6 (0.58) | CYP2A6PTPN2ASIC3LOXL2CA2 | |
| SCHEMBL24601455 | 0.73 | CYP2A6 (0.58) | CYP2A6APPPTPN2ADRB2ASIC3 | |
| SCHEMBL3051489 | 0.73 | CYP2A6 (0.58) | CYP2A6PTPN2ADRB2ASIC3LOXL2 | |
| SCHEMBL793711 | 0.73 | CYP2A6 (0.58) | CYP2A6PTPN2ADRB2ASIC3LOXL2 | |
| SCHEMBL31095741 | 0.73 | CYP2A6 (0.58) | CYP2A6PTPN2ADRB2ASIC3LOXL2 | |
| SCHEMBL6839989 | 0.72 | BACE1 (0.62) | CYP2A6CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7683185-B2 | Histone deacetylase inhibitors | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2010-03-23 | — | — | US | disclosed |
| US-20060235231-A1 | 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo | UCL BIOMEDICA PLC (GB) | 2006-10-19 | — | — | US | disclosed |
| EP-1565432-A1 | HISTONE DEACETYLASE INHIBITORS | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004046094-A9 | HISTONE DEACETYLASE INHIBITORS | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2005-06-23 | — | — | WO | disclosed |
| WO-2004046094-A1 | HISTONE DEACETYLASE INHIBITORS | QUEEN MARY & WESTFIELD COLLEGE (GB) | 2004-06-03 | — | — | 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 (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-20060235231-A1 | 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo | HDAC1, HDAC7, HDAC5 | CYP2A6 1341/4885APP 4820/4885EGFR 2268/4885 |
“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.