Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23512094 | 0.85 | L3MBTL1 (0.53) | AHRCYP1A2PAX8CYP1A1FYN | |
| SCHEMBL16212768 | 0.83 | CYP2A6 (0.42) | AHRCYP1A2PAX8CYP1A1FYN | |
| SCHEMBL30091394 | 0.82 | TDP1 (0.55) | AHRCYP1A2PAX8CYP1A1FYN | |
| SCHEMBL415466 | 0.82 | TDP1 (0.55) | AHRCYP1A2PAX8CYP1A1FYN | |
| SCHEMBL24849880 | 0.82 | L3MBTL1 (0.50) | AHRCYP1A2PAX8CYP1A1FYN | |
| SCHEMBL22019099 | 0.80 | CYP1A2 (0.52) | AHRCYP1A2PAX8CYP1A1FYN | |
| SCHEMBL29839519 | 0.80 | CYP1A2 (0.52) | AHRCYP1A2PAX8CYP1A1FYN | |
| SCHEMBL22172199 | 0.79 | AHR (0.60) | AHRCYP1A2CYP2A6MAPTNPC1 | |
| SCHEMBL24656655 | 0.79 | CYP2A6 (0.50) | AHRCYP1A2PAX8FYNCYP2A6 | |
| SCHEMBL31222429 | 0.79 | CYP2A6 (0.50) | AHRCYP1A2PAX8FYNCYP2A6 |
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-2021261851-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2021-12-30 | — | — | WO | disclosed |