Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5730910 | 0.98 | NR1H4 (0.45) | NR1H4HDAC1HDAC2MRGPRX4NPC1 | |
| SCHEMBL5730552 | 0.91 | NPC1 (0.47) | NR1H4HDAC1HDAC2NPC1HPGD | |
| SCHEMBL5353021 | 0.89 | NPC1 (0.47) | NR1H4HDAC1HDAC2NPC1HPGD | |
| SCHEMBL5730023 | 0.87 | HPGD (0.50) | NR1H4NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL5731178 | 0.83 | HPGD (0.51) | NR1H4NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL5729685 | 0.81 | NQO2 (0.47) | NPC1HPGDRAB9ASMN1; SMN2EPHX2 | |
| SCHEMBL4894779 | 0.74 | FFAR4 (0.50) | NR1H4HDAC1HDAC2EPHX2PPARG | |
| SCHEMBL4885499 | 0.72 | FFAR4 (0.50) | NR1H4HDAC1HDAC2PPARGPPARD | |
| SCHEMBL7044733 | 0.69 | FFAR4 (0.72) | HDAC1HDAC2MRGPRX4HRH3PPARA | |
| SCHEMBL5729898 | 0.69 | PPARA (0.42) | NPC1HPGDRAB9APPARGPPARD |
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-1401434-B1 | MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) | LILLY CO ELI (US) | 2006-11-15 | — | — | EP | disclosed |