Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14425319 | 0.84 | DRD4 (0.56) | DRD4DRD3DRD2KMT2AMEN1 | |
| SCHEMBL5366013 | 0.84 | DRD4 (0.56) | DRD4DRD3DRD2KMT2AMEN1 | |
| SCHEMBL5360946 | 0.83 | EPHX2 (0.47) | DRD4DRD3DRD2CYP1A2CYP2C9 | |
| SCHEMBL18487141 | 0.82 | HPGD (0.55) | DRD4DRD3DRD2KMT2AMEN1 | |
| SCHEMBL5377879 | 0.81 | MEN1 (0.45) | DRD3KMT2AMEN1LMNACYP1A2 | |
| SCHEMBL5368664 | 0.79 | DRD4 (0.54) | DRD4DRD3DRD2KMT2AMEN1 | |
| SCHEMBL5362114 | 0.79 | HTR2C (0.47) | DRD4DRD3DRD2KMT2AMEN1 | |
| SCHEMBL14425336 | 0.79 | HTR2C (0.47) | DRD4DRD3DRD2KMT2AMEN1 | |
| SCHEMBL5368583 | 0.78 | EPHX2 (0.48) | DRD4DRD3DRD2HTR1AEPHX2 | |
| SCHEMBL5360176 | 0.76 | HPGD (0.45) | DRD4DRD3DRD2LMNACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |