Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29664514 | 1.00 | TAAR1 (0.57) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL2485767 | 1.00 | TAAR1 (0.57) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL10783476 | 0.91 | TAAR1 (0.50) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL8294114 | 0.86 | TAAR1 (0.61) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL987525 | 0.83 | TAAR1 (0.71) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL4168488 | 0.83 | TAAR1 (0.70) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL4168491 | 0.83 | TAAR1 (0.70) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL4170645 | 0.83 | TAAR1 (0.70) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL30147114 | 0.83 | TAAR1 (0.70) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL11389818 | 0.81 | TAAR1 (0.48) | TAAR1SLC6A4SLC6A2SLC6A3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106478588-A | A kind of chiral 1 piperonyl 2 propanol and its isomery preparation | 王际菊 | 2017-03-08 | — | — | CN | claimed |
| CN-106478588-A | A kind of chiral 1 piperonyl 2 propanol and its isomery preparation | 王际菊 | 2017-03-08 | — | — | CN | disclosed |