Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.44 |
| ▸ | AHR | P35869 | 4/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 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 |
| ▸ | HNF4A | P41235 | 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 | |
|---|---|---|---|---|
| SCHEMBL30091394 | 0.82 | TDP1 (0.55) | ABCG2AHRPAX8CYP1A1CYP1A2 | |
| SCHEMBL415466 | 0.82 | TDP1 (0.55) | ABCG2AHRPAX8CYP1A1CYP1A2 | |
| SCHEMBL16548075 | 0.80 | TDP1 (0.46) | ABCG2AHRPAX8CYP1A1CYP1A2 | |
| SCHEMBL18201535 | 0.79 | MAOA (0.43) | AHRTDP1L3MBTL1MAPTNPC1 | |
| SCHEMBL13286516 | 0.79 | HSD17B10 (0.46) | AHRPAX8CYP1A2FYNTDP1 | |
| SCHEMBL24156128 | 0.79 | AHR (0.46) | ABCG2AHRPAX8CYP1A1CYP1A2 | |
| SCHEMBL10109874 | 0.79 | HNF4A (0.50) | ABCG2AHRPAX8CYP1A1CYP1A2 | |
| SCHEMBL19080429 | 0.79 | AHR (0.44) | ABCG2AHRPAX8CYP1A1CYP1A2 | |
| SCHEMBL23592241 | 0.76 | AHR (0.43) | AHRCYP1A2MAPTNPC1RAB9A | |
| SCHEMBL24028982 | 0.76 | AHR (0.42) | ABCG2AHRPAX8CYP1A1CYP1A2 |
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-2020022751-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | 머티어리얼사이언스 주식회사 | 2020-01-30 | — | — | WO | disclosed |