Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 7/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20934046 | 1.00 | AHR (0.46) | AHRMAPK1PGRDRD2DRD4 | |
| SCHEMBL20934246 | 0.87 | AHR (0.38) | AHRMAPK1PGRDRD2MAPT | |
| SCHEMBL20933835 | 0.83 | NPC1 (0.33) | MAPK1PGRMAPTCYP2C19CYP1A2 | |
| SCHEMBL20933221 | 0.82 | AHR (0.44) | AHRMAPK1DRD2DRD4PDK2 | |
| SCHEMBL20933263 | 0.82 | AHR (0.44) | AHRMAPK1DRD2DRD4PDK2 | |
| SCHEMBL20933779 | 0.81 | AHR (0.51) | AHRPGRDRD2PDK2HRH1 | |
| SCHEMBL20934083 | 0.80 | AHR (0.50) | AHRMAPK1PGRPDK2 | |
| SCHEMBL20933256 | 0.79 | LPL (0.38) | — | |
| SCHEMBL20934492 | 0.79 | PDK2 (0.40) | PGRPDK2LMNABACE1HPGD | |
| SCHEMBL16724067 | 0.78 | PDK2 (0.35) | AHRMAPK1PGRDRD2DRD4 |
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-2019078461-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |