Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL17044140 | 0.90 | ALDH1A1 (0.44) | CYP1A2ALDH1A1SMN1; SMN2MAPTNPBWR1 | |
| SCHEMBL3376353 | 0.78 | NPBWR1 (0.42) | CYP1A2ALDH1A1SMN1; SMN2MAPTNPBWR1 | |
| SCHEMBL1095695 | 0.77 | RECQL (0.66) | CYP1A2ALDH1A1RECQLTSHRHTT | |
| SCHEMBL17044154 | 0.77 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTCYP19A1GALR3 | |
| SCHEMBL694631 | 0.76 | CYP19A1 (0.45) | CYP1A2ALDH1A1CYP19A1RECQLMAPK1 | |
| SCHEMBL17044157 | 0.74 | GRIN1 (0.47) | CYP1A2ALDH1A1CYP19A1RECQLCREBBP | |
| SCHEMBL15516548 | 0.74 | CYP1A2 (0.69) | CYP1A2SMN1; SMN2RECQLMAPK1TSHR | |
| SCHEMBL27244212 | 0.74 | CYP1A2 (0.51) | CYP1A2RECQL | |
| SCHEMBL3379473 | 0.73 | GLS (0.55) | ALDH1A1SMN1; SMN2MAPTNPBWR1CYP19A1 | |
| SCHEMBL2253448 | 0.73 | GRIN1 (0.45) | CYP1A2ALDH1A1RECQLMAPK1LMNA |
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 |