Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 16/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | FABP1 | P07148 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9957338 | 0.89 | RET (0.43) | RETNR1H4CYP3A4HSD17B13GPBAR1 | |
| SCHEMBL17839774 | 0.85 | NR1H4 (0.47) | RETNR1H4FABP1 | |
| SCHEMBL17839802 | 0.82 | RET (0.42) | RETNR1H4HSD17B13GPBAR1FABP1 | |
| SCHEMBL19899937 | 0.80 | NR1H4 (0.51) | NR1H4HSD17B13FABP1 | |
| SCHEMBL19899995 | 0.80 | NR1H4 (0.50) | RETNR1H4 | |
| SCHEMBL19309611 | 0.79 | RET (0.40) | RETNR1H4HSD17B13GPBAR1 | |
| SCHEMBL24598908 | 0.78 | GPBAR1 (0.51) | RETNR1H4HSD17B13GPBAR1FABP1 | |
| SCHEMBL30605725 | 0.78 | GPBAR1 (0.51) | RETNR1H4HSD17B13GPBAR1FABP1 | |
| SCHEMBL9957636 | 0.76 | LMNA (0.39) | NR1H4CYP3A4HSD17B13GPBAR1 | |
| SCHEMBL19202559 | 0.75 | NR1H4 (0.57) | NR1H4 |
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-3233850-A1 | HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS | Gilead Sciences, Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096115-A1 | HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2016-06-23 | — | — | WO | disclosed |