Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | PTGFR | P43088 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.38 |
| ▸ | PTGIR | P43119 | 1/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2572180 | 0.76 | FSCN1 (0.43) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29439097 | 0.75 | IDO1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL895205 | 0.75 | IDO1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL11003393 | 0.73 | PYCR1 (0.51) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL22047936 | 0.71 | PYCR1 (0.53) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1254040 | 0.70 | ATP4A (0.44) | CYP3A4CYP2D6TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL6141524 | 0.70 | TAAR1 (0.37) | CYP2C19CYP2D6ALDH1A1MEN1KMT2A | |
| SCHEMBL27416094 | 0.70 | ATM (0.44) | ATML3MBTL1ALDH1A1MAPK1NPC1 | |
| SCHEMBL16553471 | 0.69 | PYCR1 (0.61) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16795582 | 0.68 | MAOA (0.43) | PYCR1CYP1A2CYP3A4CYP2D6ALDH1A1 |
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 |