Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LDHA | P00338 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3579994 | 0.86 | ALOX5 (0.66) | ALOX5OR51E2CYP1A2CYP2C19KMT2A | |
| SCHEMBL2975545 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2C19KMT2AMEN1CA2 | |
| SCHEMBL10307841 | 0.83 | ALOX5 (0.77) | ALOX5OR51E2KMT2AMEN1CA12 | |
| SCHEMBL8071144 | 0.81 | ALOX5 (0.60) | ALOX5OR51E2CYP1A2CYP2C19KMT2A | |
| SCHEMBL8500981 | 0.81 | ALOX5 (0.60) | ALOX5OR51E2CYP1A2CYP2C19KMT2A | |
| SCHEMBL3929597 | 0.80 | F2RL1 (0.68) | ALOX5KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL3369076 | 0.79 | KMT2A (0.63) | CYP1A2CYP2C19KMT2AMEN1CA12 | |
| SCHEMBL31619840 | 0.79 | KMT2A (0.63) | CYP1A2CYP2C19KMT2AMEN1CA12 | |
| SCHEMBL10879308 | 0.79 | ALOX5 (0.66) | ALOX5OR51E2KMT2AMEN1CA12 | |
| SCHEMBL63250 | 0.78 | HDAC1 (0.51) | — |
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-2229377-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | Wyeth LLC (US) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009076602-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | WYETH (US) | 2009-06-18 | — | — | WO | disclosed |
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |