Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.52 |
| ▸ | TACR3 | P29371 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 5/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | HTR1B | P28222 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6959582 | 0.93 | TACR1 (0.52) | TACR1TACR3BCHEACHEHTR1A | |
| SCHEMBL6959388 | 0.92 | TACR1 (0.51) | TACR1TACR3BCHEACHEHTR1A | |
| SCHEMBL6957626 | 0.87 | TACR1 (0.55) | TACR1TACR3HTR1ASLC6A4ALDH1A1 | |
| SCHEMBL6958451 | 0.87 | TACR1 (0.55) | TACR1TACR3BCHEACHEHTR1A | |
| SCHEMBL6958270 | 0.85 | TACR1 (0.51) | TACR1TACR3BCHEALDH1A1KMT2A | |
| SCHEMBL6960228 | 0.85 | SLC6A4 (0.55) | TACR1TACR3ACHEHTR1ASLC6A4 | |
| SCHEMBL6954556 | 0.83 | HTR1A (0.60) | HTR1ASLC6A4HTR1BHTR2A | |
| SCHEMBL6954843 | 0.82 | TACR3 (0.55) | TACR1TACR3BCHEACHEHTR1A | |
| SCHEMBL6954934 | 0.82 | TACR3 (0.55) | TACR1TACR3BCHEACHEHTR1A | |
| SCHEMBL11353558 | 0.81 | HTR1A (0.54) | BCHEACHEHTR1ASLC6A4ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993458-B1 | 3-BENZYLPIPERIDINE | MERCK PATENT GMBH (DE) | 2003-04-09 | — | — | EP | disclosed |
| US-6333339-B1 | CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS | MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) | 2001-12-25 | — | — | US | disclosed |
| EP-0993458-A1 | 3-BENZYLPIPERIDINE | MERCK PATENT GmbH (DE) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057953-A1 | 3-BENZYLPIPERIDINE | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | WO | disclosed |