Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | GRN | P28799 | 1/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5728742 | 0.85 | MEN1 (0.47) | BLMESR1THRATHRBKMT2A | |
| SCHEMBL10767808 | 0.84 | LMNA (0.42) | BLMESR1THRATHRBKMT2A | |
| SCHEMBL8951998 | 0.82 | HPGD (0.44) | CES2CES1BLMESR1THRA | |
| SCHEMBL9626513 | 0.80 | RIPK1 (0.47) | BLMKMT2AMEN1TRPA1KDM4E | |
| SCHEMBL2442200 | 0.80 | EPHX2 (0.47) | KMT2AMEN1CYP1A2CYP2C19LMNA | |
| SCHEMBL10383881 | 0.80 | SLC6A4 (0.53) | KMT2AMEN1ALDH1A1GRNSORT1 | |
| SCHEMBL5567033 | 0.79 | PTPRB (0.42) | CES2CES1BLMKMT2ATSHR | |
| SCHEMBL6552350 | 0.79 | SMN1; SMN2 (0.50) | ALDH1A1TRPA1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL5729103 | 0.78 | PPARA (0.49) | BLMESR1THRATHRBTSHR | |
| Ammonia Solution, Strong SCHEMBL11617477 | 0.78 | SMN1; SMN2 (0.48) | ALDH1A1TRPA1CYP3A4CYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |