Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | HMGCR | P04035 | 4/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | RHOC | P08134 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.32 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9025301 | 0.89 | GAA (0.34) | PTGS2GAAKDM4EALDH1A1TDP1 | |
| SCHEMBL9024300 | 0.76 | PTGS2 (0.34) | PTGS2HMGCR | |
| SCHEMBL9024278 | 0.74 | PTGS2 (0.38) | PTGS2HMGCRALDH1A1 | |
| SCHEMBL9750874 | 0.68 | HMGCR (0.41) | HMGCRGAAKDM4EALDH1A1 | |
| SCHEMBL9025290 | 0.67 | PTGS2 (0.33) | PTGS2HMGCRGAA | |
| SCHEMBL10397583 | 0.65 | GCGR (0.38) | — | |
| SCHEMBL9732188 | 0.65 | PKM (0.37) | PTGS2CYP3A4KDM4EALDH1A1TDP1 | |
| SCHEMBL8805119 | 0.64 | ALDH1A1 (0.40) | PTGS2KDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL9024213 | 0.64 | HMGCR (0.61) | PTGS2HMGCRABCB11NR1I2CYP3A4 | |
| SCHEMBL9750803 | 0.63 | HMGCR (0.49) | HMGCRGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0464845-B1 | Pyrrole derivatives | SHIONOGI & CO (JP) | 1996-06-05 | — | — | EP | disclosed |
| US-5128366-A | Enzyme inhibitors, anticholesterol | SHINOGI & CO., LTD. (JP) | 1992-07-07 | — | — | US | disclosed |
| EP-0464845-A1 | Pyrrole derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1992-01-08 | — | — | EP | disclosed |