Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL8610457 | 1.00 | NR1H2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8272255 | 0.92 | MMP2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL31000603 | 0.92 | MMP2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8424676 | 0.92 | MMP2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7722277 | 0.92 | MMP2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7722279 | 0.92 | MMP2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9730895 | 0.88 | NR1H2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9637002 | 0.88 | NR1H2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9731580 | 0.88 | NR1H2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9732493 | 0.88 | NR1H2 (0.42) | NR1H2POLBCYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5821261-A | ADMINISTERING IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION | MERCK & CO., INC. (US) | 1998-10-13 | — | — | US | disclosed |