Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GSR | P00390 | 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 | |
|---|---|---|---|---|
| SCHEMBL10591825 | 0.81 | GSR (0.32) | GSR | |
| Nitric Acid SCHEMBL10593117 | 0.74 | ALDH1A1 (0.39) | DRD2DRD3CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8523613 | 0.73 | BCHE (0.40) | DRD2DRD3CYP1A2CYP2D6KDM4E | |
| SCHEMBL3756225 | 0.73 | CYP3A4 (0.38) | DRD2DRD3CYP1A2CYP2D6KDM4E | |
| SCHEMBL3757483 | 0.73 | CYP3A4 (0.38) | DRD2DRD3CYP1A2CYP2D6KDM4E | |
| Formic Acid SCHEMBL31266947 | 0.73 | DRD2 (0.35) | DRD2DRD3CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL3756230 | 0.73 | CYP3A4 (0.38) | DRD2DRD3CYP1A2CYP2D6KDM4E | |
| SCHEMBL9330338 | 0.70 | SMN1; SMN2 (0.45) | CYP2D6CYP3A4GSR | |
| SCHEMBL4056755 | 0.70 | DRD3 (0.41) | DRD2DRD3 | |
| SCHEMBL10592932 | 0.68 | GSR (0.34) | GSR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4405334-A | 1-ALKYLPIPERIDINOL NITRATE ESTER ANTIKNOCK ADDITIVE | ETHYL CORPORATION (US) | 1983-09-20 | — | — | US | claimed |
| EP-0338599-A2 | Diesel fuel composition | ETHYL CORPORATION (US) | 1989-10-25 | — | — | EP | disclosed |
| EP-0195462-A2 | Diesel fuel composition | ETHYL CORPORATION (US) | 1986-09-24 | — | — | EP | disclosed |
| EP-0101093-A2 | Diesel fuel composition | ETHYL CORPORATION (US) | 1984-02-22 | — | — | EP | disclosed |
| US-4405334-A | 1-ALKYLPIPERIDINOL NITRATE ESTER ANTIKNOCK ADDITIVE | ETHYL CORPORATION (US) | 1983-09-20 | — | — | US | disclosed |