Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 6/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | NDUFS8 | O00217 | 1/20 | 0.31 |
| ▸ | COXFA4 | O00483 | 1/20 | 0.31 |
| ▸ | NDUFAB1 | O14561 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772085 | 0.90 | KDM4E (0.34) | PTPN1KDM4EALDH1A1 | |
| SCHEMBL7681418 | 0.84 | LSS (0.41) | PTGESMTNR1AHDAC3HDAC4HDAC1 | |
| SCHEMBL7681424 | 0.84 | LSS (0.41) | PTGESMTNR1AHDAC3HDAC4HDAC1 | |
| SCHEMBL7772093 | 0.83 | PTGES (0.38) | PTGESMTNR1AHDAC3HDAC4HDAC1 | |
| SCHEMBL7768105 | 0.83 | PTGES (0.34) | PTGESMTNR1AHDAC3HDAC4HDAC1 | |
| Fumaric Acid SCHEMBL7688683 | 0.82 | LSS (0.39) | PTGESMTNR1AHDAC3HDAC4HDAC1 | |
| Fumaric Acid SCHEMBL7688682 | 0.82 | LSS (0.39) | PTGESMTNR1AHDAC3HDAC4HDAC1 | |
| SCHEMBL8049490 | 0.80 | PTGES (0.34) | PTGESMTNR1AHDAC3HDAC4HDAC1 | |
| SCHEMBL7772100 | 0.79 | KDM4E (0.33) | PTGESPTPN1KDM4E | |
| SCHEMBL7764172 | 0.78 | KDM4E (0.33) | TRPV1KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778264-B1 | Tertiary amines having antimycotic and cholesterol lowering activity | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | claimed |