Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL15217220 | 0.98 | CES2 (0.42) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL13075676 | 0.87 | — | — | |
| SCHEMBL761357 | 0.80 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL16938641 | 0.80 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| Hydrochloric Acid SCHEMBL390396 | 0.78 | CES2 (0.48) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL4436300 | 0.77 | CES2 (0.42) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL15413281 | 0.77 | GABRA1 (0.48) | TSHREPHX1KDM4ENOS2LMNA | |
| SCHEMBL2736560 | 0.77 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL24858527 | 0.76 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL23158866 | 0.76 | CES2 (0.41) | CES2CES1HDAC8HDAC6TSHR |
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-6326495-B2 | HEATING A MIXTURE OF CAPROLACTONE AND P-METHOXYBENZYLAMINE; CYCLIZATION | PFIZER INC. | 2001-12-04 | — | — | US | disclosed |
| EP-0126088-A1 | ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS | E.R. SQUIBB & SONS, INC. (US) | 1984-11-28 | — | — | EP | disclosed |
| US-4463015-A | Aryl substituted 7-oxabicycloheptane compounds, useful in inhibiting platelet aggregation | E. R. SQUIBB & SONS, INC. (US) | 1984-07-31 | — | — | US | disclosed |
| WO-1984000754-A1 | ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS | SQUIBB & SONS INC (US) | 1984-03-01 | — | — | WO | disclosed |
| US-4418076-A | 7-Oxabicycloheptane hydrazone prostaglandin analogs useful in treating thrombolytic diseases | E. R. SQUIBB & SONS, INC. (US) | 1983-11-29 | — | — | US | disclosed |