Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22448318 | 0.81 | TLR8 (0.36) | TAS1R3TAS1R1ADORA2AADORA3KDM4E | |
| SCHEMBL17829992 | 0.81 | TLR8 (0.36) | TAS1R3TAS1R1ADORA2AADORA3KDM4E | |
| SCHEMBL21536698 | 0.65 | TLR8 (0.41) | ADORA2AKMT2AADORA1ADORA2B | |
| SCHEMBL17829981 | 0.65 | TLR8 (0.41) | ADORA2AKMT2AADORA1ADORA2B | |
| SCHEMBL22448324 | 0.62 | TLR8 (0.53) | — | |
| SCHEMBL22448320 | 0.61 | KCNH2 (0.56) | ADORA1 | |
| SCHEMBL18109622 | 0.59 | TLR8 (0.70) | ADORA1 | |
| SCHEMBL5930493 | 0.59 | CA12 (0.42) | MAPTMEN1KMT2ALMNAGAA | |
| SCHEMBL22448368 | 0.59 | CRHR1 (0.41) | — | |
| SCHEMBL25391857 | 0.59 | ADRA2A (0.43) | MAPTRAB9AMEN1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3404031-B1 | THIENO[3,2-D]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2020-09-23 | — | — | EP | disclosed |