Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 6/20 | 0.67 |
| ▸ | HTR2C | P28335 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.65 |
| ▸ | PPARG | P37231 | 3/20 | 0.65 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.65 |
| ▸ | SLC22A8 | Q8TCC7 | 2/20 | 0.65 |
| ▸ | SLC22A11 | Q9NSA0 | 2/20 | 0.65 |
| ▸ | ALB | P02768 | 1/20 | 0.65 |
| ▸ | PGR | P06401 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.58 |
| ▸ | APEX1 | P27695 | 3/20 | 0.58 |
| ▸ | APAF1 | O14727 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.58 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.58 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | DAO | P14920 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9594559 | 1.00 | NR1I2 (0.67) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9594711 | 0.93 | NR1I2 (0.67) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9594210 | 0.93 | NR1I2 (0.67) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9594524 | 0.92 | NR1I2 (0.70) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9594530 | 0.92 | NR1I2 (0.70) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9202264 | 0.90 | NR1I2 (0.71) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9594130 | 0.89 | NR1I2 (0.68) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9594144 | 0.89 | NR1I2 (0.68) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9203209 | 0.88 | NR1I2 (0.69) | NR1I2HTR2CMAPTPPARGSLC22A6 | |
| SCHEMBL9202906 | 0.88 | NR1I2 (0.69) | NR1I2HTR2CMAPTPPARGSLC22A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5254679-A | Containing a quaternized nitrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-19 | — | — | US | disclosed |
| US-5049558-A | Quaternized nitrogen-heterocycle substituted | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-09-17 | — | — | US | disclosed |
| EP-0164944-A1 | Cephalosporin derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-18 | — | — | EP | disclosed |