Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 2/20 | 0.59 |
| ▸ | DRD4 | P21917 | 2/20 | 0.59 |
| ▸ | DRD3 | P35462 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | DRD5 | P21918 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6517324 | 1.00 | MEN1 (0.61) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL24460624 | 0.92 | GAA (0.58) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL6902946 | 0.91 | MEN1 (0.74) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL28226193 | 0.91 | CYP1A2 (0.66) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL22795508 | 0.88 | CYP2D6 (0.62) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL22794990 | 0.88 | CYP2D6 (0.62) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL22794988 | 0.88 | CYP2D6 (0.62) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL22778175 | 0.83 | CNR2 (0.60) | DRD2DRD4DRD3ALDH1A1CYP1A2 | |
| SCHEMBL22795433 | 0.83 | CNR2 (0.60) | DRD2DRD4DRD3ALDH1A1CYP1A2 | |
| SCHEMBL22795424 | 0.83 | CNR2 (0.60) | DRD2DRD4DRD3ALDH1A1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391615-B1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-01-16 | — | — | EP | disclosed |