Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.71 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8624668 | 1.00 | CYP2C19 (0.71) | CYP2C19EPHX1HTTSMN1; SMN2NPSR1 | |
| SCHEMBL6631805 | 0.98 | CYP2C19 (0.73) | CYP2C19EPHX1HTTSMN1; SMN2NPSR1 | |
| SCHEMBL1457969 | 0.85 | CYP2C19 (0.96) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP2D6 | |
| SCHEMBL1458161 | 0.85 | CYP2C19 (0.96) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP2D6 | |
| SCHEMBL1458050 | 0.83 | CYP2C19 (1.00) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP2D6 | |
| SCHEMBL5371218 | 0.83 | CYP2C19 (0.79) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP2D6 | |
| SCHEMBL1458057 | 0.83 | CYP2C19 (1.00) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP2D6 | |
| SCHEMBL666893 | 0.83 | CYP2C19 (1.00) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP2D6 | |
| SCHEMBL6711147 | 0.81 | EPHX1 (0.59) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL6967261 | 0.81 | CYP2C19 (0.76) | CYP2C19EPHX1SMN1; SMN2NPSR1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0843682-A1 | HIGH PURITY FORMULATIONS OF HIGHLY SUBSTITUTED LITHIUM AMIDE BASES | FMC CORPORATION (US) | 1998-05-27 | — | — | EP | claimed |
| WO-1997006173-A1 | HIGH PURITY FORMULATIONS OF HIGHLY SUBSTITUTED LITHIUM AMIDE BASES | FMC CORPORATION (US) | 1997-02-20 | — | — | WO | claimed |
| EP-0843682-A1 | HIGH PURITY FORMULATIONS OF HIGHLY SUBSTITUTED LITHIUM AMIDE BASES | FMC CORPORATION (US) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997006173-A1 | HIGH PURITY FORMULATIONS OF HIGHLY SUBSTITUTED LITHIUM AMIDE BASES | FMC CORPORATION (US) | 1997-02-20 | — | — | WO | disclosed |