Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | MMP12 | P39900 | 2/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.49 |
| ▸ | CTSG | P08311 | 2/20 | 0.49 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.49 |
| ▸ | CMA1 | P23946 | 2/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL633402 | 0.93 | SLC6A2 (0.50) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL3728429 | 0.88 | SLC6A2 (0.54) | CES2CES1PRSS1CTSGCTRB1 | |
| SCHEMBL10969579 | 0.87 | TP53 (0.50) | MMP2MMP9MMP12ALDH1A1 | |
| SCHEMBL27881526 | 0.84 | NPC1 (0.52) | ALDH1A1DRD3 | |
| SCHEMBL29117316 | 0.83 | MMP2 (0.63) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL30979218 | 0.83 | CES2 (0.53) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL27836181 | 0.83 | CES2 (0.53) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL10456426 | 0.83 | CES2 (0.53) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL5711592 | 0.83 | MMP2 (0.47) | CES2CES1MMP2MMP9MMP12 | |
| SCHEMBL10969577 | 0.83 | CA2 (0.44) | MMP2MMP9MMP12 |
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-2419400-A1 | MONOAMINE REUPTAKE INHIBITORS | RESEARCH TRIANGLE INSTITUTE (US) | 2012-02-22 | — | — | EP | claimed |
| WO-2010121022-A1 | MONOAMINE REUPTAKE INHIBITORS | RESEARCH TRIANGLE INSTITUTE (US) | 2010-10-21 | — | — | WO | claimed |