Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CCR5 | P51681 | 8/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2713930 | 0.69 | OPRM1 (0.39) | CYP3A4CCR5KCNH2 | |
| SCHEMBL17134826 | 0.66 | VNN1 (0.43) | — | |
| SCHEMBL17135099 | 0.64 | TTR (0.48) | — | |
| SCHEMBL3718972 | 0.63 | CYP3A4 (0.43) | CYP3A4CCR5 | |
| SCHEMBL17134843 | 0.62 | EGFR (0.54) | L3MBTL1KDM4ECA12CA1CA2 | |
| SCHEMBL11788207 | 0.62 | SLC6A2 (0.45) | CYP3A4CCR5KCNH2 | |
| SCHEMBL14640497 | 0.62 | SLC6A2 (0.45) | CYP3A4CCR5KCNH2 | |
| Hydrochloric Acid SCHEMBL11789965 | 0.60 | SLC6A2 (0.44) | CYP3A4CCR5KCNH2 | |
| SCHEMBL15255066 | 0.60 | KCNA3 (0.39) | CYP3A4CCR5KCNH2 | |
| SCHEMBL5151972 | 0.59 | NAPRT (0.56) | CYP3A4L3MBTL1KDM4ECA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2927214-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |