Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14157121 | 0.87 | TAAR1 (0.52) | TAAR1IDO1CES2MAOBCACNA1H | |
| SCHEMBL18002039 | 0.83 | CES2 (0.43) | IDO1CES2SRD5A2MPOCYP3A4 | |
| SCHEMBL21312970 | 0.83 | CYP3A4 (0.40) | CES2SRD5A2CYP3A4CYP2D6QPCT | |
| SCHEMBL14850100 | 0.82 | TAAR1 (0.40) | TAAR1IDO1MAOBCACNA1HCYP3A4 | |
| SCHEMBL23891924 | 0.81 | IDO1 (0.56) | TAAR1IDO1MAOBMPOSLC7A5 | |
| SCHEMBL6018761 | 0.80 | CES2 (0.46) | TAAR1IDO1CES2SRD5A2MPO | |
| SCHEMBL13782 | 0.79 | DAO (0.48) | TAAR1IDO1MAOBMPOSLC7A5 | |
| SCHEMBL13202273 | 0.77 | TAAR1 (0.44) | TAAR1IDO1MAOB | |
| SCHEMBL16284397 | 0.77 | TAAR1 (0.41) | TAAR1IDO1CES2MAOBCACNA1H | |
| SCHEMBL22717044 | 0.77 | CES2 (0.47) | IDO1CES2SRD5A2MPOCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1805141-A1 | PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LTD. (GB) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006043064-A1 | PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LIMITED (GB) | 2006-04-27 | — | — | WO | disclosed |