Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22031758 | 0.90 | CYP2A6 (0.43) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL8840 | 0.88 | — | — | |
| SCHEMBL29652089 | 0.88 | — | — | |
| Formaldehyde SCHEMBL28719992 | 0.86 | CYP2A6 (0.46) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| Water SCHEMBL27660955 | 0.86 | — | — | |
| SCHEMBL27534095 | 0.86 | — | — | |
| SCHEMBL28414880 | 0.85 | FFAR1 (0.43) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| Formic Acid SCHEMBL28799429 | 0.81 | CYP11B2 (0.50) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| Formic Acid SCHEMBL29565248 | 0.81 | CYP11B2 (0.50) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 | |
| Formic Acid SCHEMBL27901598 | 0.81 | CYP11B2 (0.50) | CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106795147-A | Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use | 美国安进公司 | 2017-05-31 | — | — | CN | disclosed |
| 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 |