Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL29789306 | 0.93 | — | — | |
| SCHEMBL648679 | 0.93 | — | — | |
| Hydrazine SCHEMBL27843381 | 0.88 | HCAR2 (0.40) | CYP11B1CYP11B2HCAR2CHRNB4CHRNA3 | |
| Formaldehyde SCHEMBL28184486 | 0.86 | HCAR2 (0.43) | CYP11B1CYP11B2HCAR2CHRNB4CHRNA3 | |
| Cyanide SCHEMBL28243953 | 0.82 | HCAR2 (0.46) | CYP11B1CYP11B2HCAR2CHRNB4CHRNA3 | |
| Cyanide SCHEMBL28048122 | 0.82 | HCAR2 (0.46) | CYP11B1CYP11B2HCAR2CHRNB4CHRNA3 | |
| Formic Acid Methyl Ester SCHEMBL28056344 | 0.76 | HCAR2 (0.36) | CYP11B1CYP11B2HCAR2CHRNB4CHRNA3 | |
| SCHEMBL56635 | 0.73 | — | — | |
| SCHEMBL197638 | 0.73 | — | — | |
| SCHEMBL31482251 | 0.71 | — | — |
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-105164121-A | Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof | AMGEN INC | 2015-12-16 | — | — | CN | disclosed |