Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL112244 | 0.93 | — | — | |
| SCHEMBL31171067 | 0.93 | — | — | |
| Cyanide SCHEMBL28048122 | 0.82 | HCAR2 (0.46) | HCAR2CHRNB2CHRNA4CYP11B1CYP11B2 | |
| Formic Acid SCHEMBL27869530 | 0.80 | HCAR2 (0.44) | HCAR2PTGS2ATMCHRNB2CHRNA4 | |
| Formamide SCHEMBL28048134 | 0.80 | HCAR2 (0.39) | HCAR2PTGS2ATMCHRNB2CHRNA4 | |
| SCHEMBL24225 | 0.73 | — | — | |
| SCHEMBL197638 | 0.73 | — | — | |
| Cyanide SCHEMBL28048152 | 0.71 | CYP11B1 (0.40) | HCAR2CHRNB2CHRNA4CYP11B1CYP11B2 | |
| Cyanide SCHEMBL28048369 | 0.71 | HCAR2 (0.39) | HCAR2CHRNB2CHRNA4CYP2A6CYP11B1 | |
| SCHEMBL29735836 | 0.70 | — | — |
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 |