Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27608061 | 0.80 | MDM2 (0.48) | HDAC4HDAC7HDAC5CNR2CES2 | |
| SCHEMBL29609176 | 0.80 | EPHX1 (0.71) | HDAC4HDAC7HDAC5CNR2PPARA | |
| SCHEMBL28107951 | 0.80 | EPHX1 (0.71) | HDAC4HDAC7HDAC5CNR2PPARA | |
| SCHEMBL27586693 | 0.79 | HDAC4 (0.49) | HDAC4HDAC7HDAC5CNR2CES2 | |
| SCHEMBL27991442 | 0.77 | EPHX1 (0.58) | CNR2PPARAPPARGEPHX1 | |
| SCHEMBL27695771 | 0.76 | NR3C2 (0.42) | PPARAPPARD | |
| SCHEMBL3374627 | 0.76 | CNR1 (0.53) | HDAC4HDAC7HDAC5CNR2PPARA | |
| SCHEMBL5178070 | 0.76 | EPHX1 (0.49) | CNR2EPHX1 | |
| SCHEMBL4664796 | 0.76 | PPARA (0.56) | PPARAPPARGEPHX1PPARDTDP1 | |
| SCHEMBL27516633 | 0.75 | CNR2 (0.38) | HDAC4HDAC7HDAC5CNR2CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1951939-A | Novel pyrrole derivatives as pharmaceutical agents | LILLY CO ELI (US) | 2007-04-25 | — | — | CN | disclosed |
| CN-1269820-C | Novel pyrrole derivatives as medicaments | LILLY CO ELI (US) | 2006-08-16 | — | — | CN | disclosed |
| CN-1511157-A | Novel pyrrole derivatives as medicaments | — | 2004-07-07 | — | — | CN | disclosed |