Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 10/20 | 0.47 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | RRM1 | P23921 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.40 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29019997 | 1.00 | EPHX1 (0.47) | EPHX1CASP2RRM1DPP7MEN1 | |
| Hydrochloric Acid SCHEMBL7769070 | 0.98 | EPHX1 (0.46) | EPHX1CASP2RRM1DPP7MEN1 | |
| SCHEMBL7066326 | 0.98 | EPHX1 (0.44) | EPHX1CASP2RRM1DPP7MEN1 | |
| SCHEMBL5183229 | 0.98 | EPHX1 (0.44) | EPHX1CASP2RRM1DPP7MEN1 | |
| SCHEMBL12827797 | 0.92 | ALOX15 (0.43) | EPHX1DPP7MEN1FAAHMAPK1 | |
| SCHEMBL11508997 | 0.92 | ALOX15 (0.43) | EPHX1DPP7MEN1FAAHMAPK1 | |
| SCHEMBL21386724 | 0.84 | SOAT1 (0.37) | MEN1FAAHMAPK1KMT2A | |
| SCHEMBL6997820 | 0.83 | — | — | |
| SCHEMBL3207666 | 0.83 | — | — | |
| SCHEMBL31321062 | 0.83 | — | — |
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-2022257940-A1 | HYDROCHLORIDE SALT OF CALCIUM-SENSING RECEPTOR AGONIST COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 北京拓界生物医药科技有限公司 | 2022-12-15 | — | — | WO | disclosed |