Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL13569139 | 0.96 | TAAR1 (0.61) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL30444743 | 0.94 | TAAR1 (0.59) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL16203114 | 0.94 | TAAR1 (0.59) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL28585404 | 0.94 | TAAR1 (0.59) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL5240585 | 0.93 | TAAR1 (0.68) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL9660784 | 0.91 | TAAR1 (0.65) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL8093073 | 0.87 | SIGMAR1 (0.68) | TAAR1SIGMAR1 | |
| SCHEMBL19524669 | 0.86 | TAAR1 (0.65) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL4399626 | 0.84 | TAAR1 (0.74) | TAAR1SIGMAR1MAOBIDO1AGXT | |
| SCHEMBL15810321 | 0.83 | TAAR1 (0.57) | TAAR1SIGMAR1MAOBIDO1AGXT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102249879-B | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2013-04-17 | — | — | CN | claimed |
| CN-102249879-A | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2011-11-23 | — | — | CN | claimed |
| CN-102249879-B | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2013-04-17 | — | — | CN | disclosed |
| CN-102249879-A | 1,2-diketone derivant and preparation method thereof | UNIV ZHEJIANG | 2011-11-23 | — | — | CN | disclosed |
| EP-1957462-A2 | NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES | Astra Zeneca AB (SE) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007058583-A2 | NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES | ASTRAZENECA AB (SE) | 2007-05-24 | — | — | WO | disclosed |