Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.61 |
| ▸ | NOS2 | P35228 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | PYGL | P06737 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | NOS3 | P29474 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30305685 | 1.00 | OPRK1 (0.61) | OPRK1NOS2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL30305684 | 1.00 | OPRK1 (0.61) | OPRK1NOS2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL30581395 | 0.92 | OPRK1 (0.69) | OPRK1ALDH1A1CYP2C9CYP2C19THRB | |
| SCHEMBL28231245 | 0.92 | OPRK1 (0.69) | OPRK1ALDH1A1CYP2C9CYP2C19THRB | |
| SCHEMBL7139809 | 0.92 | OPRK1 (0.69) | OPRK1ALDH1A1CYP2C9CYP2C19THRB | |
| SCHEMBL30581396 | 0.92 | OPRK1 (0.69) | OPRK1ALDH1A1CYP2C9CYP2C19THRB | |
| Bromide SCHEMBL11571243 | 0.91 | OPRK1 (0.67) | OPRK1ALDH1A1CYP2C9CYP2C19THRB | |
| Hydrochloric Acid SCHEMBL29661828 | 0.91 | OPRK1 (0.67) | OPRK1ALDH1A1CYP2C9CYP2C19THRB | |
| SCHEMBL20885112 | 0.90 | OPRK1 (0.66) | OPRK1ALDH1A1CYP2C9CYP2C19THRB | |
| SCHEMBL11359300 | 0.89 | TSHR (0.67) | OPRK1ALDH1A1CYP2C9CYP2C19THRB |
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-2020216240-A1 | DICYCLIC ALKANE COMPOUND USEFUL AS INHIBITOR OF PLASMA KALLIKREIN | 南京明德新药研发有限公司 | 2020-10-29 | — | — | WO | disclosed |