Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 2/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28015002 | 0.91 | RAF1 (0.43) | RAF1GRM5CYP11B1CYP11B2HCAR2 | |
| SCHEMBL29406749 | 0.90 | — | — | |
| SCHEMBL149800 | 0.90 | — | — | |
| SCHEMBL936524 | 0.73 | CYP11B1 (0.47) | RAF1CYP11B1CYP11B2ALDH1A1CHRNB2 | |
| SCHEMBL1477361 | 0.73 | GRM5 (0.42) | RAF1GRM5SCN10AKCNH2CHRNB2 | |
| SCHEMBL1521247 | 0.73 | — | — | |
| SCHEMBL3941691 | 0.72 | RAF1 (0.50) | RAF1CYP11B1CYP11B2CHRNB2CHRNB4 | |
| SCHEMBL31586111 | 0.72 | RAF1 (0.50) | RAF1CYP11B1CYP11B2CHRNB2CHRNB4 | |
| Formamide SCHEMBL28048213 | 0.72 | CYP11B1 (0.37) | RAF1GRM5CYP11B1CYP11B2HCAR2 | |
| Formic Acid SCHEMBL27929488 | 0.72 | HCAR2 (0.40) | RAF1GRM5CYP11B1CYP11B2HCAR2 |
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-106795177-B | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2019-04-23 | — | — | CN | disclosed |