Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 6/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.45 |
| ▸ | BCHE | P06276 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6394314 | 0.82 | PTGS2 (0.57) | ACHEPTGS2BCHEMAPTL3MBTL1 | |
| SCHEMBL22824023 | 0.82 | CYP2A6 (0.45) | CYP2A6ALDH1A1LOXL2CYP19A1HRH3 | |
| SCHEMBL4056721 | 0.82 | PTGS2 (0.46) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL7514931 | 0.78 | FFAR1 (0.47) | — | |
| SCHEMBL10338986 | 0.78 | GRIA1 (0.46) | CYP2A6ALDH1A1HRH3KDM4ECA12 | |
| SCHEMBL2266164 | 0.77 | CYP2A6 (0.46) | CYP2A6ALDH1A1LOXL2CYP19A1HTT | |
| SCHEMBL4060944 | 0.76 | PTGS2 (0.41) | ACHEPTGS2BCHENPC1RAB9A | |
| SCHEMBL14762666 | 0.75 | MAPT (0.44) | CYP2A6ALDH1A1HTTKDM4EGAA | |
| SCHEMBL5390204 | 0.75 | NQO1 (0.61) | ACHEPTGS2BCHEALDH1A1KDM4E | |
| SCHEMBL27775586 | 0.74 | PTGS2 (0.41) | ACHEPTGS2BCHENPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106748881-B | A kind of catalysis oxidation synthetic method of nitrile compounds | 浙江工业大学 | 2018-11-13 | — | — | CN | disclosed |
| EP-2078018-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051494-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |