Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4859709 | 0.91 | PDE3B (0.44) | PDE3BPDE3ACYP11B1CYP11B2EPHX2 | |
| SCHEMBL18114133 | 0.89 | PDE3B (0.49) | PDE3BPDE3ACYP11B1CYP11B2EPHX2 | |
| SCHEMBL7526652 | 0.86 | PDE3B (0.47) | PDE3BPDE3ACYP11B1CYP11B2EPHX2 | |
| SCHEMBL7418793 | 0.83 | PDE3B (0.49) | PDE3BPDE3ACYP11B1CYP11B2EPHX2 | |
| SCHEMBL6225349 | 0.81 | EPHX2 (0.57) | EPHX2HTR1AHTR2AHTR7DRD3 | |
| SCHEMBL5366326 | 0.79 | PDE3B (0.54) | PDE3BPDE3ACYP11B1CYP11B2CRBN | |
| SCHEMBL31032797 | 0.79 | PDE3B (0.54) | PDE3BPDE3ACYP11B1CYP11B2CRBN | |
| SCHEMBL5467252 | 0.79 | HTR1A (0.52) | EPHX2CRBNHTR1AHTR2AHTR7 | |
| SCHEMBL8546755 | 0.77 | AKR1C4 (0.49) | EPHX2CRBNHTR1AHTR2AHTR7 | |
| SCHEMBL6221019 | 0.76 | EPHX2 (0.44) | EPHX2HTR1AHTR2AHTR7DRD3 |
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-0709384-B1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | EP | disclosed |
| US-5698553-A | Benzylpiperidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-16 | — | — | US | disclosed |
| EP-0709384-A1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GmbH (DE) | 1996-05-01 | — | — | EP | disclosed |