Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373500 | 0.79 | CYSLTR2 (0.49) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL10546745 | 0.78 | CYSLTR2 (0.50) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6637309 | 0.75 | RAB9A (0.47) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9719840 | 0.75 | CYP1A2 (0.48) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7456253 | 0.73 | CYSLTR1 (0.49) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7455761 | 0.73 | CYSLTR2 (0.49) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7460680 | 0.72 | CYP1A2 (0.43) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL7714637 | 0.72 | CYSLTR1 (0.43) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| Hydrogen Sulfide SCHEMBL9818421 | 0.72 | CYSLTR1 (0.48) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL2877991 | 0.70 | CYSLTR1 (0.52) | CYP1A2CYSLTR2CYSLTR1PDE10ANCF1 |
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-5157039-A | Lipoxygenase inhibitors | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1992-10-20 | — | — | US | disclosed |
| US-5109009-A | QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1992-04-28 | — | — | US | disclosed |
| US-4826987-A | Pyridyl and quinoline derivatives | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1989-05-02 | — | — | US | disclosed |