Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CCL2 | P13500 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1011361 | 0.77 | OPRM1 (0.48) | TSHRTP53MAPK1HTTMAOA | |
| SCHEMBL20884606 | 0.76 | MAOA (0.51) | TSHRMAOADRD2KDM4ECYP2C9 | |
| SCHEMBL5778972 | 0.75 | MAOA (0.54) | TSHRMAOADRD2KDM4ECYP2C9 | |
| SCHEMBL7703158 | 0.73 | PRCP (0.57) | TSHRSMN1; SMN2NPC1TP53MAPK1 | |
| SCHEMBL7703162 | 0.73 | PRCP (0.57) | TSHRSMN1; SMN2NPC1TP53MAPK1 | |
| SCHEMBL14615001 | 0.73 | SMN1; SMN2 (0.53) | TSHRSMN1; SMN2NPC1TP53MAPK1 | |
| SCHEMBL14615209 | 0.73 | SMN1; SMN2 (0.53) | TSHRSMN1; SMN2NPC1TP53MAPK1 | |
| SCHEMBL1010981 | 0.72 | HPGD (0.49) | SMN1; SMN2HTTMAOAKDM4E | |
| SCHEMBL22180431 | 0.72 | MAOA (0.47) | TSHRMAOADRD2KDM4ECYP2C9 | |
| SCHEMBL20884017 | 0.72 | MAOA (0.47) | TSHRMAOADRD2KDM4ECYP2C9 |
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-1778639-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006020049-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2006-02-23 | — | — | WO | disclosed |