Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 4/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.34 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19265644 | 0.93 | MMP2 (0.41) | MMP2MMP13MMP14ALDH1A1HPGD | |
| SCHEMBL18771974 | 0.89 | MMP2 (0.45) | MMP2MMP13MMP14ALDH1A1HPGD | |
| SCHEMBL18771997 | 0.87 | TLR8 (0.45) | ALDH1A1HPGDTLR8TLR7 | |
| SCHEMBL18771933 | 0.87 | TLR8 (0.34) | MMP2ALDH1A1HPGDHSD17B10TLR8 | |
| SCHEMBL18772002 | 0.86 | HPGD (0.37) | ALDH1A1HPGDTLR8TLR7 | |
| SCHEMBL18772117 | 0.85 | KDM4E (0.39) | ALDH1A1HPGDHSD17B10TLR8TLR7 | |
| SCHEMBL19265523 | 0.83 | TLR8 (0.35) | ALDH1A1HPGDHSD17B10TLR8TLR7 | |
| SCHEMBL18771727 | 0.83 | TLR8 (0.42) | ALDH1A1HPGDTLR8TLR7 | |
| SCHEMBL18771978 | 0.83 | TLR8 (0.33) | TLR8TLR7 | |
| SCHEMBL18772024 | 0.83 | TLR8 (0.56) | ALDH1A1TLR8TLR7 |
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-3159337-A2 | SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | Ventirx Pharmaceuticals, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |