Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 7/20 | 0.45 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.40 |
| ▸ | RORC | P51449 | 2/20 | 0.40 |
| ▸ | RORA | P35398 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16637745 | 0.83 | HSD11B1 (0.43) | HSD11B1PSIP1CYP2C19NR1H3NR1I2 | |
| SCHEMBL28121990 | 0.78 | PSIP1 (0.48) | HSD11B1PSIP1CYP2C19NR1H3NR1I2 | |
| SCHEMBL6053330 | 0.76 | PSIP1 (0.50) | HSD11B1PSIP1NR1H3NR1I2NR1H2 | |
| SCHEMBL13703524 | 0.74 | PSIP1 (0.52) | HSD11B1PSIP1CYP2C19TSHRALDH1A1 | |
| SCHEMBL23195341 | 0.74 | PSIP1 (0.52) | HSD11B1PSIP1CYP2C19TSHRALDH1A1 | |
| SCHEMBL6053237 | 0.73 | HSD11B1 (0.47) | HSD11B1PSIP1CYP2C19NR1H3ABCC9 | |
| SCHEMBL776228 | 0.73 | HTR6 (0.46) | HSD11B1PSIP1NR1H3NR1H2TSHR | |
| SCHEMBL10652867 | 0.73 | TSHR (0.48) | HSD11B1PSIP1CYP2C19NR1H3ABCC9 | |
| SCHEMBL7405107 | 0.73 | CYP2C19 (0.47) | HSD11B1PSIP1CYP2C19NR1H3NR1I2 | |
| SCHEMBL6058408 | 0.72 | PSIP1 (0.42) | HSD11B1PSIP1NR1H3NR1I2NR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015051496-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |