Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL27892935 | 0.86 | PTGS2 (0.46) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL13475909 | 0.86 | — | — | |
| Benzene SCHEMBL28456073 | 0.86 | PTGS2 (0.48) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Formaldehyde SCHEMBL27489743 | 0.84 | CA1 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Fluoride SCHEMBL27800819 | 0.84 | PTGS2 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL17289458 | 0.84 | PTGS2 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Phosphine SCHEMBL29065184 | 0.84 | PTGS2 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Fluoride SCHEMBL28295332 | 0.84 | PTGS2 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Propane SCHEMBL23922782 | 0.82 | PTGS2 (0.56) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Methoxymethane SCHEMBL27992995 | 0.82 | PTGS2 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 |
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-109096211-B | Preparation method of polysubstituted triazole derivative | 华侨大学 | 2021-11-23 | — | — | CN | disclosed |