Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TDO2 | P48775 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.51 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20873066 | 0.81 | PRKCZ (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1202543 | 0.79 | IMPDH2 (0.63) | HSD17B10IMPDH2MAPK1ALDH1A1MAPT | |
| SCHEMBL25034156 | 0.79 | MAPT (0.57) | HSD17B10IMPDH2MAPK1TDO2ALDH1A1 | |
| SCHEMBL3291196 | 0.78 | ALDH1A1 (0.53) | HSD17B10IMPDH2MAPK1TDO2ALDH1A1 | |
| SCHEMBL15333384 | 0.78 | MAOB (0.59) | HSD17B10IMPDH2MAPK1TDO2ALDH1A1 | |
| SCHEMBL17738793 | 0.78 | IKBKE (0.76) | IKBKETBK1CDK5CDK5R1GSK3B | |
| SCHEMBL1919056 | 0.77 | IMPDH2 (0.58) | HSD17B10IMPDH2MAPK1TDO2ALDH1A1 | |
| SCHEMBL25034154 | 0.75 | KDR (0.73) | HSD17B10IMPDH2MAPK1TDO2PDGFRB | |
| SCHEMBL10098237 | 0.73 | PRKCZ (0.42) | ALDH1A1MAPTSMN1; SMN2CYP3A4PRKCZ | |
| SCHEMBL10806364 | 0.71 | PRKCZ (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |