Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH2 | Q8IWU9 | 12/20 | 0.55 |
| ▸ | TPH1 | P17752 | 9/20 | 0.55 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18036486 | 0.78 | TPH2 (0.88) | TPH2TPH1 | |
| SCHEMBL18036526 | 0.60 | TPH2 (0.86) | TPH2TPH1 | |
| SCHEMBL18036488 | 0.60 | TPH2 (0.87) | TPH2TPH1 | |
| SCHEMBL4597359 | 0.58 | ALDH1A1 (0.53) | — | |
| SCHEMBL8366653 | 0.57 | CYP1A2 (0.54) | — | |
| Hydrochloric Acid SCHEMBL10492855 | 0.57 | TSHR (0.70) | — | |
| SCHEMBL8077743 | 0.57 | MAPT (0.41) | — | |
| SCHEMBL10492786 | 0.56 | MEN1 (0.64) | — | |
| Hydrochloric Acid SCHEMBL10492880 | 0.56 | RAB9A (0.73) | — | |
| SCHEMBL2107585 | 0.56 | MYC (0.44) | — |
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-3262044-A1 | XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2018-01-03 | — | — | EP | disclosed |
| WO-2016135199-A1 | XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2016-09-01 | — | — | WO | disclosed |