Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.53 |
| ▸ | CDC7 | O00311 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15730737 | 0.80 | MAP4K4 (0.54) | MAP4K4CDC7ROCK2PIM1PRKACA | |
| SCHEMBL27935092 | 0.80 | CTSA (0.46) | MAP4K4DHODHNPC1RAB9AMAPT | |
| SCHEMBL3090990 | 0.80 | MAPT (0.62) | MAP4K4CDC7ROCK2PIM1PRKACA | |
| SCHEMBL15638509 | 0.79 | RAB9A (0.54) | NFE2L2DHODHNPC1RAB9AMAPT | |
| SCHEMBL580437 | 0.79 | ADORA2B (0.42) | DHODHNPC1RAB9AMAPTCYP11B2 | |
| SCHEMBL28254626 | 0.77 | BRD4 (0.52) | MAP4K4CDC7ROCK2PIM1PRKACA | |
| SCHEMBL3327536 | 0.77 | DHODH (0.50) | DHODHNPC1RAB9AMAPTCTSA | |
| SCHEMBL16247654 | 0.76 | MAP4K4 (0.57) | MAP4K4CDC7ROCK2PIM1PRKACA | |
| SCHEMBL15723925 | 0.76 | MAP4K4 (0.50) | MAP4K4CDC7ROCK2PIM1PRKACA | |
| SCHEMBL21870524 | 0.76 | NFE2L2 (0.42) | MAP4K4CDC7ROCK2PIM1PRKACA |
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 |
|---|---|---|---|---|---|---|---|
| CN-110809577-A | Modulators of adenosine A2A receptor | 雷沃医疗有限公司 | 2020-02-18 | — | — | CN | disclosed |