Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | SNCA | P37840 | 2/20 | 0.40 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | QPCT | Q16769 | 2/20 | 0.38 |
| ▸ | QPCTL | Q9NXS2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17044139 | 0.91 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2L3MBTL1CCR2 | |
| SCHEMBL6087245 | 0.83 | HTR6 (0.51) | CYP19A1CYP11B1CYP11B2L3MBTL1APP | |
| SCHEMBL3200268 | 0.80 | HTR6 (0.49) | APPSNCABRD4PLAU | |
| SCHEMBL17044159 | 0.77 | GRIN1 (0.47) | CYP19A1CYP11B1CYP11B2CCR2ALDH1A1 | |
| SCHEMBL6592584 | 0.76 | APP (0.45) | CYP19A1CYP11B1CYP11B2L3MBTL1CCR2 | |
| SCHEMBL14855116 | 0.76 | PLAU (0.54) | CYP19A1CYP11B1CYP11B2L3MBTL1CCR2 | |
| SCHEMBL30364718 | 0.76 | PLAU (0.54) | CYP19A1CYP11B1CYP11B2L3MBTL1CCR2 | |
| SCHEMBL16510281 | 0.76 | APP (0.43) | CYP19A1CYP11B1CYP11B2L3MBTL1CCR2 | |
| SCHEMBL17044148 | 0.74 | ALDH1A1 (0.50) | CYP19A1ALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL4035905 | 0.73 | SLC2A1 (0.46) | CYP11B1CYP11B2L3MBTL1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1778639-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2015-09-02 | — | — | EP | disclosed |