Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25786464 | 0.84 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL13199458 | 0.82 | CYP2A6 (0.48) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL18179295 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL14496873 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL8436238 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL18934890 | 0.80 | LOXL2 (0.47) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL4390194 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| Water SCHEMBL17670054 | 0.79 | TAAR1 (0.50) | ALDH1A1KDM4EGAA | |
| SCHEMBL1019451 | 0.79 | TAAR1 (0.50) | ALDH1A1KDM4EGAA | |
| SCHEMBL18179299 | 0.78 | MEN1 (0.44) | CYP2A6ALDH1A1FFAR1FFAR4AR |
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 |
|---|---|---|---|---|---|---|---|
| US-20230225201-A1 | Organic Light Emitting Diode and Device Comprising the Same | NOVALED GMBH (DE) | 2023-07-13 | — | — | US | disclosed |