Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KDM5A | P29375 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3174309 | 0.85 | DRD4 (0.62) | CYP2D6CYP1A2CYP2C9MEN1KMT2A | |
| SCHEMBL4488723 | 0.84 | CYP1A2 (0.76) | CYP2D6CYP1A2CYP2C9MEN1KMT2A | |
| SCHEMBL17269536 | 0.83 | NPSR1 (0.70) | CYP2D6CYP1A2CYP2C9MEN1KMT2A | |
| SCHEMBL2774517 | 0.83 | DRD4 (0.64) | MEN1KMT2AALDH1A1DRD2DRD4 | |
| SCHEMBL19240365 | 0.81 | ALDH1A1 (0.61) | CYP1A2CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL14430718 | 0.78 | MAPT (0.61) | CYP2D6CYP1A2CYP2C9KMT2AALDH1A1 | |
| SCHEMBL10475888 | 0.73 | ADAM17 (0.51) | — | |
| SCHEMBL10475831 | 0.73 | ADAM17 (0.51) | — | |
| SCHEMBL1161862 | 0.72 | GFER (0.64) | CYP2D6CYP1A2ALDH1A1HDAC1HDAC8 | |
| SCHEMBL13069210 | 0.71 | ALDH1A1 (0.73) | CYP2D6CYP1A2CYP2C9MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |