Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.39 |
| ▸ | DRD3 | P35462 | 10/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.33 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014407 | 0.90 | DRD2 (0.37) | DRD2DRD3PTGDR2NOS3NOS1 | |
| SCHEMBL9014335 | 0.80 | KDM4E (0.37) | ALDH1A1 | |
| SCHEMBL9014788 | 0.80 | ADRA2A (0.40) | DRD2DRD3PTGDR2HCRTR2 | |
| SCHEMBL9234439 | 0.80 | DRD3 (0.37) | DRD2DRD3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9014302 | 0.76 | HTR1A (0.47) | DRD2DRD3 | |
| SCHEMBL9585693 | 0.76 | DRD2 (0.40) | DRD2DRD3ABCB1ABCC9ABCC8 | |
| SCHEMBL9014727 | 0.76 | KCNH2 (0.38) | LMNA | |
| SCHEMBL8402481 | 0.75 | DRD2 (0.47) | DRD2DRD3ABCB1CYP1A2CYP2D6 | |
| SCHEMBL6215060 | 0.72 | HTR1A (0.57) | DRD2DRD3ABCB1HCRTR2 | |
| SCHEMBL29243618 | 0.71 | DRD2 (0.42) | DRD2DRD3ABCB1NOS3NOS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5495022-A | Piperidines and piperazines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-02-27 | — | — | US | disclosed |
| EP-0634398-A1 | 4-Phenylpiperidinyl-1/-piperazinyl-1-ethylsubstituted benzofusedheterocycles as antiarrhythmic agents | MERCK PATENT GmbH (DE) | 1995-01-18 | — | — | EP | disclosed |