Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 13/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 8/20 | 0.52 |
| ▸ | DRD2 | P14416 | 5/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27692703 | 0.85 | DRD4 (0.63) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL13059802 | 0.85 | DRD4 (0.59) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1759405 | 0.85 | DRD4 (0.71) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10319583 | 0.85 | DRD4 (0.71) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2768536 | 0.85 | DRD4 (0.71) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1502000 | 0.85 | DRD4 (0.71) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL10670770 | 0.84 | DRD4 (0.69) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18487142 | 0.81 | DRD4 (0.54) | DRD4CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9523708 | 0.78 | CNR2 (0.58) | DRD4DRD3SLC6A3SIGMAR1 | |
| SCHEMBL5378298 | 0.77 | DRD4 (0.47) | DRD4DRD3DRD2SLC6A3SIGMAR1 |
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 5 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 |
| CN-87106925-A | Naphthyridine and quinoline-carboxylic acid antibacterial agents that the 1-tertiary alkyl replaces | — | 1988-09-14 | — | — | CN | disclosed |