Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.31 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28140502 | 1.00 | NR1I2 (0.55) | NR1I2SLC2A1PRSS1PRSS2PRSS3 | |
| SCHEMBL10357844 | 0.92 | NR1I2 (0.46) | NR1I2SLC2A1LMNAALDH1A1CSNK1E | |
| SCHEMBL982650 | 0.92 | NR1I2 (0.46) | NR1I2SLC2A1LMNAALDH1A1CSNK1E | |
| SCHEMBL29288755 | 0.92 | NR1I2 (0.46) | NR1I2ALDH1A1ESR1ESR2 | |
| SCHEMBL10358358 | 0.91 | NR1I2 (0.45) | NR1I2SLC2A1LMNAALDH1A1CSNK1E | |
| SCHEMBL983798 | 0.90 | NR1I2 (0.44) | NR1I2SLC2A1LMNAALDH1A1CSNK1E | |
| SCHEMBL5480284 | 0.89 | NR1I2 (0.44) | NR1I2SLC2A1LMNAALDH1A1CSNK1E | |
| SCHEMBL6850756 | 0.89 | NR1I2 (0.44) | NR1I2SLC2A1LMNAALDH1A1CSNK1E | |
| SCHEMBL10358926 | 0.89 | NR1I2 (0.42) | NR1I2SLC2A1LMNAALDH1A1DNM1 | |
| SCHEMBL8859009 | 0.87 | NR1I2 (0.41) | NR1I2SLC2A1ESR1ESR2OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1102751-A4 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | UNIV GEORGETOWN (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1102751-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | Georgetown University (US) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000007994-A1 | NOVEL BI- AND TRI-CYCLIC AZA COMPOUNDS AND THEIR USES | GEORGETOWN UNIVERSITY (US) | 2000-02-17 | — | — | WO | disclosed |