Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | FAP | Q12884 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9902676 | 0.85 | CYP2A6 (0.50) | CYP2A6LOXL2MAOBIDO1CYP11B1 | |
| SCHEMBL13643101 | 0.85 | CYP2A6 (0.50) | CYP2A6LOXL2MAOBIDO1CYP11B1 | |
| SCHEMBL19407082 | 0.84 | CYP2A6 (0.53) | CYP2A6LOXL2MAOBIDO1HRH3 | |
| SCHEMBL29038971 | 0.81 | CYP2A6 (0.50) | CYP2A6LOXL2MAOBALDH1A1ACACB | |
| SCHEMBL10441823 | 0.79 | CYP2A6 (0.57) | CYP2A6LOXL2MAOBIDO1CYP11B1 | |
| SCHEMBL7658469 | 0.79 | TSHR (0.53) | CYP2A6LOXL2TSHRHSD17B10CYP19A1 | |
| SCHEMBL21396259 | 0.79 | TSHR (0.53) | CYP2A6LOXL2DPP4HRH3MMP12 | |
| SCHEMBL10091330 | 0.79 | TSHR (0.53) | CYP2A6LOXL2DPP4HRH3MMP12 | |
| SCHEMBL18930737 | 0.79 | LOXL2 (0.47) | CYP2A6LOXL2IDO1DPP4FAP | |
| SCHEMBL28288513 | 0.78 | CYP2A6 (0.50) | CYP2A6LOXL2MAOBIDO1CYP11B1 |
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 |