Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8545695 | 0.84 | SMN1; SMN2 (0.44) | AOC3CYP1A2CYP2D6CYP2C19MAPK1 | |
| SCHEMBL5484871 | 0.80 | KDM4E (0.57) | AOC3CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL25554 | 0.80 | AOC3 (0.50) | AOC3CYP1A2CYP2D6CYP2C19CA1 | |
| SCHEMBL30620666 | 0.80 | AOC3 (0.50) | AOC3CYP1A2CYP2D6CYP2C19CA1 | |
| SCHEMBL18082658 | 0.80 | KDM4E (0.57) | AOC3CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL11419589 | 0.80 | KDM4E (0.57) | AOC3CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL5731661 | 0.80 | AOC3 (0.50) | AOC3CYP1A2CYP2D6CYP2C19CA1 | |
| SCHEMBL851370 | 0.80 | KDM4E (0.57) | AOC3CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL591062 | 0.80 | CA1 (0.58) | AOC3CYP1A2CYP2D6CYP2C19CA1 | |
| SCHEMBL1305495 | 0.80 | CA1 (0.58) | AOC3CYP1A2CYP2D6CYP2C19CA1 |
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-2019228604-A1 | PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRAN COMPOUNDS WITH REDUCED TEMPERATURE DEPENDENCE | TRANSITIONS OPTICAL, LTD. (IE) | 2019-12-05 | — | — | WO | disclosed |