Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 5/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | CYP2J2 | P51589 | 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 | |
|---|---|---|---|---|
| SCHEMBL497708 | 0.88 | SCN9A (0.41) | HCAR1SCN9AKCNN4P2RX7CHRM4 | |
| SCHEMBL20749504 | 0.83 | HCAR1 (0.37) | HCAR1SCN9AKCNN4P2RX7CYP2D6 | |
| SCHEMBL497828 | 0.76 | SLC5A1 (0.42) | HCAR1SCN9AKCNN4P2RX7HCRTR1 | |
| SCHEMBL27740962 | 0.75 | NR1H4 (0.36) | SCN9AKCNN4HCRTR1HCRTR2JAK2 | |
| SCHEMBL498054 | 0.70 | KCNN4 (0.42) | HCAR1SCN9AKCNN4P2RX7 | |
| SCHEMBL2770345 | 0.69 | HCAR1 (0.40) | HCAR1SCN9AKCNN4P2RX7CHRM4 | |
| SCHEMBL20817390 | 0.69 | NR1H4 (0.43) | JAK2JAK1TYK2JAK3 | |
| SCHEMBL497639 | 0.68 | KCNN4 (0.40) | HCAR1SCN9AKCNN4P2RX7 | |
| SCHEMBL20749506 | 0.67 | HCAR1 (0.40) | HCAR1SCN9AP2RX7CHRM4HCRTR1 | |
| SCHEMBL28460135 | 0.65 | KCNN4 (0.52) | HCAR1SCN9AKCNN4P2RX7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107108595-B | Novel FXR (NR1H4) modulating compounds | 吉利德科学公司 | 2021-04-06 | — | — | CN | disclosed |
| EP-3233831-B1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2019-02-20 | — | — | EP | disclosed |
| EP-3233831-B1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2019-02-20 | — | — | EP | disclosed |
| EP-3233831-A1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | Gilead Sciences, Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096116-A1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016096116-A1 | NOVEL FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-06-23 | — | — | WO | disclosed |