Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17829983 | 0.86 | PRKCI (0.51) | PRKCITLR8TLR7 | |
| SCHEMBL22448323 | 0.83 | CYP3A4 (0.41) | CYP3A4KCNH2CRHR1CHEK2FLT1 | |
| SCHEMBL22448312 | 0.80 | CHEK2 (0.46) | PRKCICHEK2FLT1KDM4ENPSR1 | |
| SCHEMBL17830002 | 0.77 | TLR8 (0.42) | PRKCIKCNH2CRHR1TLR8TLR7 | |
| SCHEMBL12105218 | 0.72 | PDPK1 (0.42) | PRKCI | |
| SCHEMBL16441112 | 0.70 | TLR8 (0.52) | TLR8TLR7 | |
| SCHEMBL22448348 | 0.68 | KCNH2 (0.36) | KCNH2CHEK2FLT1KDM4ENPSR1 | |
| SCHEMBL22448325 | 0.67 | TLR8 (0.42) | PRKCIKCNH2TLR8TLR7 | |
| SCHEMBL20667974 | 0.67 | KDM4E (0.51) | CYP3A4CRHR1CHEK2FLT1KDM4E | |
| SCHEMBL5401620 | 0.65 | ACP1 (0.46) | CYP3A4CRHR1KDM4ENPSR1L3MBTL1 |
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 |