Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25690961 | 0.83 | AHR (0.72) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL11645802 | 0.83 | MAOB (0.60) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL11644851 | 0.82 | CYP1A1 (0.66) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL11645163 | 0.80 | GABRP (0.60) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL11643881 | 0.80 | MAOB (0.63) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL11647508 | 0.80 | TNKS (0.60) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL11647907 | 0.80 | PAX8 (0.51) | ABCG2PAX8CYP1A1CYP1A2FYN | |
| SCHEMBL11827981 | 0.80 | MAOB (0.62) | CYP1A1CYP1A2NPC1RAB9ACYP2E1 | |
| SCHEMBL1740996 | 0.79 | ABCG2 (0.71) | ABCG2CYP1A1CYP1A2TDP1NPC1 | |
| SCHEMBL11645915 | 0.79 | TNKS (0.63) | ABCG2PAX8CYP1A1CYP1A2FYN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105061372-B | A kind of synthetic method of aphthofurans class compound | 湖南大学 | 2017-06-20 | — | — | CN | disclosed |
| CN-105061372-A | Synthetic methods of naphthopyran compounds | UNIV HUNAN | 2015-11-18 | — | — | CN | disclosed |