Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2581646 | 0.78 | ALDH1A1 (0.52) | ALDH1A1ACHEMAOAMAOB | |
| SCHEMBL2586747 | 0.69 | ALDH1A1 (0.53) | ALDH1A1ACHEMAOAMAOBCYP1A2 | |
| SCHEMBL6670189 | 0.67 | KDM4E (0.54) | CHUKHSD17B10 | |
| SCHEMBL12609243 | 0.64 | CRHR1 (0.49) | ALDH1A1ACHECRHR1HSD17B10 | |
| SCHEMBL22630233 | 0.63 | ACP1 (0.34) | CHUKCYP1A2CYP3A4HSD17B10TDP1 | |
| SCHEMBL2638722 | 0.63 | CRHR1 (0.48) | ALDH1A1CRHR1HSD17B10 | |
| SCHEMBL29691084 | 0.62 | TSHR (0.41) | ALDH1A1CYP1A2NISCH | |
| SCHEMBL22616537 | 0.61 | F2R (0.33) | CYP1A2CYP3A4HSD17B10TDP1 | |
| SCHEMBL5414519 | 0.60 | JAK2 (0.54) | — | |
| SCHEMBL8791236 | 0.59 | ALDH1A1 (0.46) | ALDH1A1HSD17B10NISCH |
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-1924561-A2 | 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | Eli Lilly & Company (US) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007028083-A2 | 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2007-03-08 | — | — | WO | disclosed |