Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC9 | O60706 | 2/20 | 0.42 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.42 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.42 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 4/20 | 0.41 |
| ▸ | MMP3 | P08254 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 8/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157584 | 0.89 | CA12 (0.44) | CYP17A1CA12CA1CA9NAMPT | |
| SCHEMBL20157618 | 0.88 | CNR2 (0.43) | CYP17A1CA12CA1CA9NAMPT | |
| SCHEMBL21564977 | 0.85 | RORC (0.42) | MMP8MMP3RORCCA12CA1 | |
| SCHEMBL29053397 | 0.80 | CA12 (0.46) | CYP17A1CA12CA1CA9NAMPT | |
| SCHEMBL20157868 | 0.80 | SMN1; SMN2 (0.45) | CYP17A1CA12CA1CA9 | |
| SCHEMBL24875985 | 0.80 | MMP8 (0.47) | MMP8MMP3RORCCYP17A1CA12 | |
| SCHEMBL21352074 | 0.79 | ATR (0.47) | CYP17A1CA12CA1CA9NAMPT | |
| SCHEMBL22548863 | 0.79 | CYP17A1 (0.57) | ABCC9ABCC8KCNJ11KCNJ8MMP8 | |
| SCHEMBL1440700 | 0.79 | CA12 (0.47) | MMP8MMP3RORCCYP17A1CA12 | |
| SCHEMBL632848 | 0.78 | MEN1 (0.54) | ABCC9ABCC8KCNJ11KCNJ8CYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |