Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7603491 | 0.83 | ALDH1A1 (0.48) | CYP3A4TSHRGRIN2DGRIN3BGRIN1 | |
| SCHEMBL19511828 | 0.83 | TSHR (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL23030132 | 0.79 | CD44 (0.52) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL8229219 | 0.79 | CD44 (0.52) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL11591050 | 0.77 | DRD2 (0.54) | CD44ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL12247210 | 0.75 | ALDH1A1 (0.50) | CD44CYP3A4ALDH1A1HDAC3HDAC4 | |
| SCHEMBL18762305 | 0.74 | CD44 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL13497804 | 0.74 | CD44 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL10426197 | 0.74 | CD44 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL22064646 | 0.74 | CD44 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |