Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.49 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | SMPD2 | O60906 | 2/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.47 |
| ▸ | CHAT | P28329 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23460038 | 0.85 | CHAT (0.47) | GRIK1GRIK2RXRASMPD2CHAT | |
| SCHEMBL10706687 | 0.80 | CHAT (0.62) | RXRACHATHDAC8HDAC6MTNR1A | |
| SCHEMBL10706694 | 0.80 | CHAT (0.62) | RXRACHATHDAC8HDAC6MTNR1A | |
| SCHEMBL10706700 | 0.80 | CHAT (0.62) | RXRACHATHDAC8HDAC6MTNR1A | |
| SCHEMBL7006267 | 0.80 | RXRA (0.49) | GRIK1GRIK2RXRASMPD2CHAT | |
| SCHEMBL1683792 | 0.80 | SMPD2 (0.54) | GRIK1GRIK2RXRASMPD2CHAT | |
| SCHEMBL15338325 | 0.80 | SMPD2 (0.54) | GRIK1GRIK2RXRASMPD2CHAT | |
| SCHEMBL615456 | 0.80 | SMPD2 (0.51) | GRIK1GRIK2RXRASMPD2CHAT | |
| SCHEMBL6002917 | 0.80 | RXRA (0.49) | GRIK1GRIK2RXRASMPD2CHAT | |
| SCHEMBL615455 | 0.80 | SMPD2 (0.51) | GRIK1GRIK2RXRASMPD2CHAT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014001075-A1 | PROCESS FOR RACEMIZING OPTICALLY ACTIVE ARYLALKYLAMINES | BASF SE (DE) | 2014-01-03 | — | — | WO | disclosed |
| JP-2008214296-A | MODULATOR FOR AUTOINDUCER-2 RECEPTOR | OSAKA UNIV | 2008-09-18 | — | — | JP | disclosed |
| EP-0318234-A2 | Improvements in or relating to selective serotonin uptake inhibitors | ELI LILLY AND COMPANY (US) | 1989-05-31 | — | — | EP | disclosed |