Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27688179 | 0.88 | DRD4 (0.49) | DRD4HTR2AMEN1KMT2AKCNH2 | |
| SCHEMBL12696566 | 0.86 | DRD4 (0.56) | DRD4DRD2DRD3 | |
| SCHEMBL2447401 | 0.86 | DRD4 (0.56) | DRD4DRD2DRD3 | |
| SCHEMBL5194021 | 0.83 | SIGMAR1 (0.54) | DRD4OPRM1KCNH2SIGMAR1DRD2 | |
| SCHEMBL5192115 | 0.79 | DRD4 (0.48) | DRD4MEN1KMT2ASIGMAR1POLB | |
| SCHEMBL12610680 | 0.78 | HSD11B1 (0.49) | SIGMAR1 | |
| SCHEMBL2183713 | 0.77 | LTA4H (0.64) | HTR2AOPRM1SIGMAR1ACHE | |
| SCHEMBL5378301 | 0.77 | DRD4 (0.59) | DRD4SLC6A3SIGMAR1DRD2DRD3 | |
| SCHEMBL9523708 | 0.75 | CNR2 (0.58) | DRD4MEN1KMT2ASLC6A3SIGMAR1 | |
| SCHEMBL3521678 | 0.75 | DRD4 (0.57) | DRD4AGTR2DRD2DRD3 |
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 4 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 |
| EP-1390034-A4 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2005-07-13 | — | — | EP | disclosed |
| EP-1390034-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002080928-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-10-17 | — | — | WO | disclosed |