Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 2/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.38 |
| ▸ | PARL | Q9H300 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4583291 | 0.90 | PKM (0.42) | SMN1; SMN2CYP2D6PKMCYP2C19CYP3A4 | |
| SCHEMBL476991 | 0.79 | CYP1A2 (0.41) | CYP1A2SMN1; SMN2PARLCA1CA2 | |
| SCHEMBL25403099 | 0.79 | ALDH1A1 (0.45) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL477080 | 0.77 | PARL (0.38) | CYP1A2SMN1; SMN2HSD11B1PARLCA1 | |
| SCHEMBL11133553 | 0.75 | TRPA1 (0.42) | SMN1; SMN2HSD11B1CCR5PARLCA2 | |
| SCHEMBL11079288 | 0.75 | TSHR (0.42) | SMN1; SMN2HSD11B1PARLCYP2C9TSHR | |
| SCHEMBL11084689 | 0.75 | SMN1; SMN2 (0.61) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4337229 | 0.74 | TSHR (0.50) | CYP1A2SMN1; SMN2CYP2D6PKMPARL | |
| SCHEMBL11081780 | 0.74 | PIN1 (0.41) | CYP1A2PARLCA1CA2CA9 | |
| SCHEMBL4337155 | 0.74 | TSHR (0.50) | CYP1A2SMN1; SMN2CYP2D6PKMPARL |
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-0050327-B1 | PHOSPHOLIPIDS THAT CONTAIN SULPHUR, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1984-06-20 | — | — | EP | disclosed |
| US-4444766-A | ANTITUMOR | BOEHRINGER MANNHEIM GMBH (DE) | 1984-04-24 | — | — | US | disclosed |
| EP-0050327-A1 | Phospholipids that contain sulphur, process for their preparation and medicines containing these compounds | Roche Diagnostics GmbH (DE) | 1982-04-28 | — | — | EP | disclosed |