Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 5/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | F13A1 | P00488 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1108653 | 0.81 | RAB9A (0.53) | HCAR3CYP1A2CLK4ALDH1A1CYP3A4 | |
| SCHEMBL7238262 | 0.80 | HCAR3 (0.44) | HCAR3CYP1A2CLK4ALDH1A1CYP3A4 | |
| SCHEMBL12693710 | 0.79 | HCAR3 (0.45) | HCAR3CLK4ALDH1A1DEGS1KDM4E | |
| SCHEMBL2759546 | 0.79 | PTK2 (0.59) | HCAR3CYP1A2DEGS1KDM4E | |
| SCHEMBL12327198 | 0.79 | HCAR3 (0.56) | HCAR3ALDH1A1MAPK1DEGS1KDM4E | |
| SCHEMBL25056983 | 0.77 | PRKAB2 (0.60) | CYP1A2CLK4ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL7233175 | 0.75 | GAA (0.65) | CYP1A2ALDH1A1 | |
| SCHEMBL14416655 | 0.75 | HCAR3 (0.53) | HCAR3CYP1A2ALDH1A1MAPK1DEGS1 | |
| SCHEMBL11466907 | 0.74 | DEGS1 (0.56) | HCAR3HSD17B10DEGS1 | |
| SCHEMBL8145501 | 0.73 | CYP1A2 (0.56) | CYP1A2CLK4ALDH1A1CYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7579348-B2 | Derivatives of 8-substituted xanthines | PGXHEALTH, LLC (US) | 2009-08-25 | — | — | US | disclosed |