Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 3/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TAS2R31 | P59538 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27831207 | 0.85 | CYP3A4 (0.43) | CYP3A4ACHEHSD11B1F10CHRM2 | |
| SCHEMBL24176579 | 0.83 | CYP3A4 (0.56) | CYP3A4ACHEHSD11B1F10MEN1 | |
| SCHEMBL6712439 | 0.82 | CYP3A4 (0.41) | CYP3A4ACHEHSD11B1RIPK3F10 | |
| SCHEMBL28060722 | 0.80 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL19788616 | 0.78 | CYP3A4 (0.38) | CYP3A4ACHEHSD11B1RIPK3PAX8 | |
| SCHEMBL18264963 | 0.75 | CYP3A4 (0.43) | CYP3A4ACHEHSD11B1F10 | |
| SCHEMBL12987002 | 0.72 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL23252704 | 0.71 | CYP3A4 (0.42) | CYP3A4ACHEHSD11B1 | |
| SCHEMBL13409126 | 0.71 | HSD11B1 (0.43) | CYP3A4ACHEHSD11B1F10MEN1 | |
| SCHEMBL10046778 | 0.71 | CYP3A4 (0.39) | CYP3A4ACHEHSD11B1F10 |
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-106170290-A | Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof | 西格诺药品有限公司 | 2016-11-30 | — | — | CN | disclosed |