Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.58 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 3/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12186118 | 0.87 | — | — | |
| SCHEMBL4191589 | 0.87 | PRKCI (0.72) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 | |
| Water SCHEMBL27737065 | 0.85 | ENPP2 (0.48) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL18297788 | 0.84 | PRKCI (0.76) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL23750141 | 0.82 | PRKCI (0.67) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL30108284 | 0.80 | PRKCI (0.70) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL249824 | 0.80 | PRKCI (0.70) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13350170 | 0.79 | HSD17B1 (0.39) | CYP2C9 | |
| SCHEMBL16578698 | 0.78 | PRKCI (0.68) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL12826421 | 0.77 | PRKCI (0.60) | PRKCIACMSDCHRNB4CHRNA3CHRNA7 |
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-2041159-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-09-28 | — | — | EP | disclosed |