Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | GCK | P35557 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3479629 | 1.00 | TAAR1 (0.42) | TAAR1MTNR1AMTNR1BALDH1A1HTT | |
| SCHEMBL13263978 | 0.85 | KDM4E (0.48) | TAAR1MTNR1AMTNR1BALDH1A1SMN1; SMN2 | |
| SCHEMBL4563251 | 0.83 | GPBAR1 (0.44) | TAAR1MTNR1AMTNR1BALDH1A1HTT | |
| SCHEMBL755519 | 0.83 | GPBAR1 (0.44) | TAAR1MTNR1AMTNR1BALDH1A1HTT | |
| SCHEMBL757234 | 0.81 | P2RX3 (0.49) | TAAR1ALDH1A1HTTSMN1; SMN2TTR | |
| SCHEMBL3546869 | 0.77 | CYP3A4 (0.53) | TAAR1MTNR1AMTNR1BALDH1A1GCK | |
| SCHEMBL3537942 | 0.77 | CYP3A4 (0.53) | TAAR1MTNR1AMTNR1BALDH1A1GCK | |
| SCHEMBL19384508 | 0.77 | KDM4E (0.45) | MTNR1AMTNR1BALDH1A1MCHR1 | |
| SCHEMBL20897162 | 0.77 | KDM4E (0.45) | MTNR1AMTNR1BALDH1A1MCHR1 | |
| SCHEMBL19384391 | 0.77 | KDM4E (0.45) | MTNR1AMTNR1BALDH1A1MCHR1 |
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-2063889-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030412-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |