Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL30330702 | 1.00 | CXCR4 (0.47) | CXCR4ALDH1A1L3MBTL1S1PR1S1PR3 | |
| Cyanide SCHEMBL30330017 | 1.00 | CXCR4 (0.47) | CXCR4ALDH1A1L3MBTL1S1PR1S1PR3 | |
| Cyanide SCHEMBL30330955 | 1.00 | CXCR4 (0.47) | CXCR4ALDH1A1L3MBTL1S1PR1S1PR3 | |
| Cyanide SCHEMBL30212769 | 1.00 | CXCR4 (0.47) | CXCR4ALDH1A1L3MBTL1S1PR1S1PR3 | |
| Cyanide SCHEMBL30329898 | 0.95 | S1PR1 (0.47) | CXCR4S1PR1S1PR3S1PR5HRH3 | |
| Cyanide SCHEMBL30331155 | 0.95 | S1PR1 (0.47) | CXCR4S1PR1S1PR3S1PR5HRH3 | |
| Cyanide SCHEMBL30330871 | 0.95 | S1PR1 (0.47) | CXCR4S1PR1S1PR3S1PR5HRH3 | |
| Cyanide SCHEMBL30330023 | 0.95 | S1PR1 (0.47) | CXCR4S1PR1S1PR3S1PR5HRH3 | |
| SCHEMBL14079463 | 0.95 | CXCR4 (0.50) | CXCR4ALDH1A1L3MBTL1S1PR1S1PR3 | |
| SCHEMBL17064993 | 0.95 | CXCR4 (0.50) | CXCR4ALDH1A1L3MBTL1S1PR1S1PR3 |
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-2023046704-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-30 | — | — | WO | disclosed |