Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11910300 | 0.80 | CYP2A6 (0.54) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL7922825 | 0.77 | LOXL2 (0.50) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL8995507 | 0.77 | CYP2A6 (0.50) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL5410448 | 0.77 | GFER (0.48) | CYP2A6LOXL2TSHRMAOAMAOB | |
| SCHEMBL5419014 | 0.76 | AOC3 (0.41) | CYP2A6LOXL2HSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL29065555 | 0.73 | TSHR (0.54) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL1004267 | 0.72 | LOXL2 (0.64) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL2968409 | 0.72 | KCNJ1 (0.48) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL18560067 | 0.72 | KCNJ1 (0.48) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 | |
| SCHEMBL14460154 | 0.71 | TSHR (0.57) | CYP2A6LOXL2TSHRHSD17B10KCNJ1 |
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 |