Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL254417 | 0.84 | HTT (0.41) | TAAR1MAOACYP2D6 | |
| SCHEMBL9856696 | 0.78 | HTR2A (0.43) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27946949 | 0.78 | TSHR (0.55) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL2572909 | 0.77 | HTT (0.37) | MAOAESR1ESR2 | |
| SCHEMBL10506241 | 0.77 | IDO1 (0.38) | TAAR1MAOA | |
| SCHEMBL6678844 | 0.77 | HTT (0.44) | MAOACYP2D6 | |
| SCHEMBL10598919 | 0.76 | TRPA1 (0.41) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL11208144 | 0.76 | PPARA (0.43) | TRPA1SIGMAR1TAAR1SLC6A2MAOA | |
| SCHEMBL3782807 | 0.76 | CYP2C19 (0.35) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL7456485 | 0.75 | EPHX1 (0.41) | TRPA1SIGMAR1TAAR1SLC6A2MAOA |
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-2017209488-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-12-07 | — | — | WO | disclosed |