Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.49 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.49 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.49 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.49 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.49 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.49 |
| ▸ | FABP2 | P12104 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL765486 | 0.86 | CYP2C19 (0.68) | APPCYP2C19CYP2C9CYP3A4AKR1C3 | |
| SCHEMBL12327018 | 0.83 | LMNA (0.64) | CYP2C19CYP2C9AKR1C3AKR1C2PTGS1 | |
| 4'-Hydroxyflurbiprofen SCHEMBL7040151 | 0.80 | APP (0.97) | APPCYP2C19CYP2C9CYP3A4AKR1C3 | |
| 4'-Hydroxyflurbiprofen SCHEMBL6450842 | 0.80 | APP (0.97) | APPCYP2C19CYP2C9CYP3A4AKR1C3 | |
| SCHEMBL17524312 | 0.80 | APP (0.81) | APPCYP2C19CYP2C9CYP3A4AKR1C3 | |
| SCHEMBL2778899 | 0.78 | APP (1.00) | APPCYP2C19CYP2C9CYP3A4AKR1C3 | |
| SCHEMBL38659424 | 0.76 | ESR1 (0.70) | APPCYP2C19CYP2C9CYP3A4ESR1 | |
| SCHEMBL20497350 | 0.76 | ESR1 (0.54) | CYP2C19CYP2C9CYP3A4PTGS1DRD3 | |
| SCHEMBL18664389 | 0.76 | ESR1 (0.54) | CYP2C19CYP2C9CYP3A4PTGS1DRD3 | |
| SCHEMBL18664397 | 0.76 | ESR1 (0.54) | CYP2C19CYP2C9CYP3A4PTGS1DRD3 |
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-115093400-A | AhR inhibitor and application and preparation method thereof | 重庆华森制药股份有限公司 | 2022-09-23 | — | — | CN | disclosed |