Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2578171 | 0.86 | PYCR1 (0.40) | PYCR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2568820 | 0.79 | PYCR1 (0.42) | PYCR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2580840 | 0.76 | PYCR1 (0.48) | PYCR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2568706 | 0.74 | MEN1 (0.42) | CYP2D6CYP3A4TDP1SLC6A2SLC6A4 | |
| SCHEMBL26675992 | 0.72 | PYCR1 (0.51) | PYCR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4543601 | 0.72 | AOC3 (0.34) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL2655817 | 0.72 | PYCR1 (0.54) | PYCR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5644680 | 0.70 | POLB (0.47) | PYCR1SLC6A2SLC6A4ERCC1ERCC4 | |
| SCHEMBL10915673 | 0.69 | PYCR1 (0.44) | PYCR1CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2568818 | 0.68 | HTT (0.49) | PYCR1CYP2D6CYP1A2CYP3A4CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2384318-A2 | COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS | Ardelyx, Inc. (US) | 2011-11-09 | — | — | EP | disclosed |
| WO-2010078449-A2 | COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS | ARDELYX, INC. (US) | 2010-07-08 | — | — | WO | disclosed |