Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.68 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.57 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.57 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.57 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.57 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.57 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.57 |
| ▸ | FABP2 | P12104 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14465122 | 1.00 | AKR1C3 (0.68) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL27769715 | 0.87 | AKR1C3 (0.53) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL1533399 | 0.85 | AKR1C3 (0.67) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL3680291 | 0.82 | AKR1C3 (0.57) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL11477750 | 0.82 | AKR1C3 (0.56) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL1506690 | 0.80 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL20588734 | 0.80 | HSD17B10 (0.51) | AKR1C3AKR1C2PTGS2CYP2C19MEN1 | |
| SCHEMBL732665 | 0.80 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| SCHEMBL30468533 | 0.80 | HSD17B10 (0.51) | AKR1C3AKR1C2PTGS2CYP2C19MEN1 | |
| SCHEMBL30433901 | 0.80 | APP (0.63) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 |
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-118666764-A | Triazole amide compound, preparation method and application thereof | 中国人民解放军海军军医大学 | 2024-09-20 | — | — | CN | disclosed |