Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 5/20 | 0.36 |
| ▸ | JAK3 | P52333 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19905836 | 0.95 | JAK1 (0.37) | JAK1JAK3JAK2IDO1KCNH2 | |
| SCHEMBL19905920 | 0.94 | KDM4E (0.36) | JAK1JAK3JAK2IDO1KCNH2 | |
| SCHEMBL19905832 | 0.89 | MCHR1 (0.40) | JAK1JAK3JAK2MCHR1KDM4E | |
| SCHEMBL19905973 | 0.88 | JAK2 (0.37) | JAK1JAK3JAK2IDO1KCNH2 | |
| SCHEMBL19906238 | 0.86 | KDM4E (0.35) | IDO1KCNH2MCHR1KDM4EPTGDR2 | |
| SCHEMBL19906368 | 0.85 | MCHR1 (0.43) | MCHR1KDM4EPTGDR2MEN1ALDH1A1 | |
| SCHEMBL19906392 | 0.84 | JAK1 (0.35) | JAK1JAK3JAK2KDM4EPTGDR2 | |
| SCHEMBL19906223 | 0.84 | MCHR1 (0.41) | MCHR1CYP2D6 | |
| SCHEMBL19905942 | 0.83 | DRD2 (0.40) | KCNH2KDM4EPTGDR2MEN1ALDH1A1 | |
| SCHEMBL15332769 | 0.83 | CYP3A4 (0.39) | JAK1JAK3JAK2IDO1KCNH2 |
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-3070081-B1 | BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | GILEAD SCIENCES INC (US) | 2018-02-28 | — | — | EP | disclosed |