Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9024104 | 1.00 | PKM (0.39) | PKMGPR183HMGCRALDH1A1KDM4E | |
| SCHEMBL9024469 | 0.86 | PKM (0.38) | PKMGPR183HMGCRALDH1A1KDM4E | |
| SCHEMBL9025064 | 0.79 | HMGCR (0.57) | HMGCRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9025069 | 0.79 | HMGCR (0.57) | HMGCRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9024600 | 0.76 | HMGCR (0.43) | PKMGPR183HMGCRKMT2A | |
| SCHEMBL9024612 | 0.76 | HMGCR (0.43) | PKMGPR183HMGCRKMT2A | |
| SCHEMBL9732188 | 0.75 | PKM (0.37) | PKMGPR183ALDH1A1KDM4EMAPT | |
| SCHEMBL9518437 | 0.74 | HMGCR (0.56) | HMGCR | |
| SCHEMBL9750945 | 0.74 | HMGCR (0.56) | HMGCR | |
| SCHEMBL9518353 | 0.73 | HMGCR (0.59) | HMGCRALDH1A1KDM4EMAPTTDP1 |
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-0464845-B1 | Pyrrole derivatives | SHIONOGI & CO (JP) | 1996-06-05 | — | — | EP | disclosed |
| EP-0464845-A1 | Pyrrole derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1992-01-08 | — | — | EP | disclosed |