Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | C1S | P09871 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5911692 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1812811 | 0.89 | SLC6A2 (0.51) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13963168 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31191116 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31191121 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31191381 | 0.87 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL241692 | 0.85 | IDO1 (0.47) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5872085 | 0.85 | IDO1 (0.47) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31476387 | 0.85 | IDO1 (0.47) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6202481 | 0.83 | SLC6A2 (0.48) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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-1676635-A2 | Immobilisable ligands derived from ethylenediamine | Johnson Matthey PLC (GB) | 2006-07-05 | — | — | EP | disclosed |
| EP-1545772-A2 | NITROGEN-CONTAINING LIGANDS | Johnson Matthey PLC (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004014551-A2 | IMMOBILISED LIGANDS DERIVED FROM ETHYLENEDIAMINE | JOHNSON MATTHEY PLC (GB) | 2004-02-19 | — | — | WO | disclosed |