Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11537012 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL1454027 | 0.87 | MAPT (0.32) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL1019773 | 0.87 | CYP1A2 (0.32) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL1013837 | 0.85 | CYP1A2 (0.35) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL23015155 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL23014842 | 0.85 | MAPT (0.35) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL23014732 | 0.85 | MAPT (0.35) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL1019658 | 0.85 | CYP1A2 (0.35) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL23014937 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL1016725 | 0.84 | — | — |
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-4150057-A | ION EXCHANGING, REACTION OF BORON COMPOUND WITH DIMETHYL SULFIDE AND HYDROCHLORIC ACID | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-04-17 | — | — | US | disclosed |