Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.56 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ALPL | P05186 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18181000 | 0.98 | CYP2A6 (0.60) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22477626 | 0.96 | CYP2A6 (0.59) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL23027107 | 0.94 | CYP2A6 (0.56) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL31624220 | 0.94 | CYP2A6 (0.56) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL24361443 | 0.94 | CYP2A6 (0.56) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21563734 | 0.92 | CYP2A6 (0.54) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21742616 | 0.88 | CYP2A6 (0.71) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL31373340 | 0.88 | CYP2A6 (0.71) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL31468911 | 0.87 | CYP1A2 (0.49) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL31643628 | 0.87 | CYP1A2 (0.49) | CYP2A6CYP1A2CYP3A4CYP2D6CYP2C19 |
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-2019216743-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME | 주식회사 엘지화학 (KR) | 2019-11-14 | — | — | WO | disclosed |