Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL29006939 | 0.83 | PTGS2 (0.49) | PTGS2CA1CA2CA5ACA9 | |
| SCHEMBL13475909 | 0.78 | — | — | |
| Benzene SCHEMBL28456073 | 0.78 | PTGS2 (0.48) | PTGS2CA1CA2CA5ACA9 | |
| SCHEMBL14300337 | 0.77 | SCN1A (0.43) | PTGS2CA1CA2CA5ACA9 | |
| Acetophenone SCHEMBL29127417 | 0.76 | PTGS2 (0.51) | PTGS2TP53HDAC1HDAC2CYP2D6 | |
| SCHEMBL27718958 | 0.76 | PTGS2 (0.55) | PTGS2CA1CA2CA5ACA9 | |
| Formaldehyde SCHEMBL27489743 | 0.76 | CA1 (0.47) | PTGS2CA1CA2CA5ACA9 | |
| SCHEMBL17289458 | 0.76 | PTGS2 (0.47) | PTGS2CA1CA2CA5ACA9 | |
| Phosphine SCHEMBL29065184 | 0.76 | PTGS2 (0.47) | PTGS2CA1CA2CA5ACA9 | |
| Fluoride SCHEMBL27800819 | 0.76 | PTGS2 (0.47) | PTGS2CA1CA2CA5ACA9 |
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-109750055-A | The method for improving protein nucleic acid biological coupling efficiency based on α bolt bar | 南开大学 | 2019-05-14 | — | — | CN | disclosed |