Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 14/20 | 0.59 |
| ▸ | TPH2 | Q8IWU9 | 11/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21027604 | 0.83 | TPH1 (0.58) | TPH1TPH2TSHRALDH1A1HPGD | |
| SCHEMBL19827284 | 0.82 | TPH1 (0.55) | TPH1TPH2TSHRALDH1A1HPGD | |
| SCHEMBL19810115 | 0.75 | TPH1 (1.00) | TPH1TPH2 | |
| SCHEMBL19810119 | 0.64 | TPH1 (1.00) | TPH1TPH2 | |
| SCHEMBL21027845 | 0.62 | TPH1 (0.57) | TPH1TPH2PDE5A | |
| SCHEMBL19810118 | 0.61 | TPH1 (1.00) | TPH1TPH2 | |
| SCHEMBL5958170 | 0.61 | TRPA1 (0.73) | TPH1TPH2TSHRALDH1A1HPGD | |
| SCHEMBL12535906 | 0.60 | ALDH1A1 (0.53) | TSHRALDH1A1HPGDL3MBTL1NPC1 | |
| SCHEMBL19206760 | 0.59 | TSHR (0.45) | TPH1TPH2TSHRALDH1A1HPGD | |
| SCHEMBL19827111 | 0.59 | TPH2 (1.00) | TPH1TPH2 |
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-3490996-B1 | XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME | MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN (DE) | 2020-08-26 | — | — | EP | disclosed |
| WO-2018019917-A1 | XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2018-02-01 | — | — | WO | disclosed |