Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL17044157 | 0.90 | GRIN1 (0.47) | GRIN1GRIN2BRECQLCYP19A1CYP11B1 | |
| SCHEMBL5733688 | 0.81 | RECQL (0.66) | RECQLCYP19A1BRD4ALDH1A1CYP1A2 | |
| SCHEMBL17044147 | 0.77 | CYP19A1 (0.45) | CYP19A1CYP11B1CYP11B2CCR2BRD4 | |
| SCHEMBL17044140 | 0.74 | ALDH1A1 (0.44) | RECQLCYP19A1ALDH1A1CREBBPCYP1A2 | |
| SCHEMBL694631 | 0.74 | CYP19A1 (0.45) | RECQLCYP19A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL9941526 | 0.73 | GRIN1 (0.48) | GRIN1GRIN2BRECQLCYP19A1CYP11B1 | |
| SCHEMBL694562 | 0.73 | RECQL (0.46) | RECQLBRD4CYP1A2 | |
| SCHEMBL17044139 | 0.73 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2CCR2BRD4 | |
| SCHEMBL2251593 | 0.72 | GRIN1 (0.46) | GRIN1GRIN2BRECQLEGFRERBB2 | |
| SCHEMBL1095695 | 0.70 | RECQL (0.66) | RECQLEGFRERBB2BRD4ALDH1A1 |
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 |