Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.58 |
| ▸ | LIFR | P42702 | 1/20 | 0.58 |
| ▸ | PPARD | Q03181 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL21624440 | 0.90 | NR1H4 (0.52) | NR1H4LIFRPPARDCYP1A2CYP2C9 | |
| SCHEMBL21624445 | 0.87 | NR1H4 (0.64) | NR1H4LIFRCYP1A2CYP2C9NR1I2 | |
| SCHEMBL30080614 | 0.83 | NR1H4 (0.83) | NR1H4LIFRPPARD | |
| SCHEMBL21624448 | 0.78 | NR1H4 (0.69) | NR1H4LIFRPPARDCYP1A2CYP2C9 | |
| SCHEMBL21624447 | 0.76 | NR1H4 (0.52) | NR1H4LIFRCYP1A2CYP2C9NR1I2 | |
| SCHEMBL30080616 | 0.74 | NR1H4 (0.71) | NR1H4LIFR | |
| SCHEMBL2004099 | 0.74 | NR1H4 (0.70) | NR1H4LIFRPPARDCYP1A2CYP2C9 | |
| SCHEMBL30080792 | 0.74 | NR1H4 (1.00) | NR1H4LIFRCYP1A2CYP2C9NR1I2 | |
| SCHEMBL1180005 | 0.73 | NR1H4 (0.82) | NR1H4LIFRCYP1A2CYP2C9NR1I2 | |
| SCHEMBL2113248 | 0.73 | NR1H4 (1.00) | NR1H4LIFRCYP1A2CYP2C9NR1I2 |
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-3823960-A1 | ISOXAZOLE AS FXR RECEPTOR AGONISTS | Bar Pharmaceuticals Societa ' A Responsabilita' Limitata (IT) | 2021-05-26 | — | — | EP | disclosed |
| WO-2020016801-A1 | ISOXAZOLE AS FXR RECEPTOR AGONISTS | BAR PHARMACEUTICALS SOCIETA' A RESPONSABILITA' LIMITATA (IT) | 2020-01-23 | — | — | WO | disclosed |