Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 7/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8541881 | 0.88 | ALDH1A1 (0.58) | ALDH1A1LMNAMAPTNPSR1TAAR1 | |
| SCHEMBL8544989 | 0.82 | GRIN2B (0.59) | ACHEGRIN2B | |
| SCHEMBL8546974 | 0.81 | GRIN2B (0.40) | ALDH1A1LMNAMAPTNPSR1TAAR1 | |
| SCHEMBL8547760 | 0.81 | GRIN2B (0.47) | ACHEGRIN2B | |
| SCHEMBL8873013 | 0.79 | LMNA (0.42) | ALDH1A1LMNAGRIN2BCPT2CPT1A | |
| SCHEMBL8550244 | 0.77 | ACHE (0.47) | ALDH1A1LMNAACHEGRIN2B | |
| SCHEMBL8546120 | 0.77 | GRIN2B (0.58) | ALDH1A1LMNAMAPTNPSR1TAAR1 | |
| SCHEMBL8817728 | 0.74 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTNPSR1TAAR1 | |
| SCHEMBL8546768 | 0.73 | GRIN2B (0.61) | ACHEGRIN2B | |
| Hydrochloric Acid SCHEMBL4766854 | 0.72 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTNPSR1TAAR1 |
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 |