Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 14/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 13/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CLK1 | P49759 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL28210685 | 0.76 | NR4A2 (0.44) | — | |
| SCHEMBL12525403 | 0.76 | SCN9A (0.42) | FYN | |
| SCHEMBL28210679 | 0.75 | MKNK1 (0.49) | CYP11B1CYP11B2CYP17A1CYP3A4CYP1A2 | |
| SCHEMBL28210075 | 0.75 | FPR2 (0.39) | CYP11B2 | |
| SCHEMBL15000918 | 0.71 | FFAR1 (0.41) | CYP11B1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL30790364 | 0.70 | PDCD1 (0.60) | HSD17B10 | |
| SCHEMBL9548114 | 0.70 | PDCD1 (0.60) | HSD17B10 | |
| SCHEMBL2064759 | 0.70 | NR4A2 (0.67) | FYNCYP2C9TSHRMAPK1HSD17B10 | |
| SCHEMBL19923153 | 0.70 | PDCD1 (0.47) | — | |
| SCHEMBL13726819 | 0.70 | NR4A2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922379-A | Substituted guanidine derivatives | 宇部兴产株式会社 | 2018-04-17 | — | — | CN | disclosed |