Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 9/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 8/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1097175 | 0.76 | NR1H4 (0.41) | NR1H4NPBWR1MCHR1GAAMAPK14 | |
| SCHEMBL2774647 | 0.76 | NR1H4 (0.45) | NR1H4NPBWR1MCHR1MAPK14ALDH1A1 | |
| SCHEMBL1096331 | 0.75 | NR1H4 (0.44) | NR1H4NPBWR1MCHR1MAPK14ALDH1A1 | |
| SCHEMBL1095989 | 0.75 | NR1H4 (0.46) | NR1H4NPBWR1MCHR1MAPK14KMT2A | |
| SCHEMBL20094462 | 0.75 | NR1H4 (0.40) | NR1H4NPBWR1MCHR1MAPK14ALDH1A1 | |
| SCHEMBL27896015 | 0.73 | NR1H4 (0.39) | NR1H4NPBWR1MCHR1SMN1; SMN2P2RX7 | |
| SCHEMBL27896299 | 0.72 | NR1H4 (0.43) | NR1H4MAPK14ALDH1A1 | |
| SCHEMBL21340190 | 0.72 | NR1H4 (0.43) | NR1H4MAPK14 | |
| SCHEMBL26272107 | 0.72 | NR1H4 (0.43) | NR1H4NPBWR1MCHR1MAPK14P2RX7 | |
| SCHEMBL21849905 | 0.68 | PRMT5 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101743232-B | Compounds and methods for modulating fxr | LILLY CO ELI | 2013-03-06 | — | — | CN | disclosed |