Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19185637 | 0.91 | ALDH1A1 (0.38) | HTR1ACYP2D6SCN1ASLC6A3SCN5A | |
| SCHEMBL26582082 | 0.86 | TSHR (0.33) | HTR1ACYP2D6SCN1ASLC6A3SCN5A | |
| SCHEMBL4621135 | 0.86 | HTR1A (0.33) | HTR1ACYP2D6SCN1ASLC6A3SCN5A | |
| SCHEMBL27743520 | 0.82 | EPHX1 (0.39) | ALDH1A1 | |
| SCHEMBL2937545 | 0.82 | EPHX1 (0.39) | ALDH1A1 | |
| SCHEMBL9206085 | 0.82 | EPHX1 (0.39) | ALDH1A1 | |
| SCHEMBL9204096 | 0.82 | EPHX1 (0.39) | ALDH1A1 | |
| SCHEMBL9205901 | 0.82 | EPHX1 (0.39) | ALDH1A1 | |
| SCHEMBL21238076 | 0.82 | — | — | |
| SCHEMBL7054443 | 0.81 | — | — |
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-2013009372-A1 | PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS | HUNTSMAN PETROCHEMICAL LLC (US) | 2013-01-17 | — | — | WO | disclosed |