Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | DUT | P33316 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20191009 | 0.83 | DUT (0.48) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL20190782 | 0.83 | DUT (0.45) | ALDH1A1POLBLMNAHTTDUT | |
| SCHEMBL20190780 | 0.83 | DUT (0.45) | ALDH1A1POLBLMNAHTTDUT | |
| SCHEMBL20191007 | 0.83 | DUT (0.48) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL21522649 | 0.73 | DUT (0.57) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL21536632 | 0.73 | DUT (0.53) | ALDH1A1POLBLMNAHTTDUT | |
| SCHEMBL20189322 | 0.73 | DUT (0.57) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL21536079 | 0.67 | DUT (0.52) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL20190448 | 0.67 | DUT (0.49) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL20204683 | 0.66 | DUT (0.44) | ALDH1A1KMT2ADUT |
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-2018098209-A1 | AMINO SULFONYL COMPOUNDS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |