Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30527823 | 1.00 | GSTP1 (0.48) | GSTP1NOTUMHDAC4HDAC2HDAC8 | |
| SCHEMBL13950154 | 0.84 | GSTP1 (0.47) | GSTP1NOTUMHDAC4HDAC2HDAC8 | |
| SCHEMBL979621 | 0.77 | CFTR (0.43) | SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL3646655 | 0.74 | GSTP1 (0.52) | GSTP1NOTUMHDAC4HDAC2HDAC8 | |
| SCHEMBL7348557 | 0.74 | ALOX5 (0.46) | NOTUMALOX5SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL30527899 | 0.73 | ALDH1A1 (0.41) | TSHRSMN1; SMN2CA2CA9MEN1 | |
| SCHEMBL30527907 | 0.72 | CYP1A2 (0.38) | NOTUMTSHRCYP1A2CA1CA2 | |
| SCHEMBL30527856 | 0.72 | KMT2A (0.31) | KMT2A | |
| SCHEMBL6602632 | 0.72 | PTGS1 (0.43) | NOTUMGABRA1GABRG2GABRB3ALDH1A1 | |
| SCHEMBL2167797 | 0.71 | BACE1 (0.52) | CYP1A2KDM4EMEN1ALDH1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828724-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-03-18 | — | — | EP | claimed |
| WO-1996036623-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-21 | — | — | WO | claimed |