Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Cyclohexanone SCHEMBL28839585 | 0.80 | PTGS2 (0.45) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Formaldehyde SCHEMBL27489743 | 0.76 | CA1 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Cyclohexane SCHEMBL29035562 | 0.76 | PTGS2 (0.49) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Biphenyl SCHEMBL27957652 | 0.75 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1HTT | |
| Ethylene SCHEMBL27892935 | 0.74 | PTGS2 (0.46) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Benzene SCHEMBL28456073 | 0.74 | PTGS2 (0.48) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL13475909 | 0.74 | — | — | |
| SCHEMBL17289458 | 0.72 | PTGS2 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Phosphine SCHEMBL29065184 | 0.72 | PTGS2 (0.47) | PTGS2CYP2D6CYP2C19CA1CA2 | |
| Benzene SCHEMBL28751495 | 0.72 | HTT (0.40) | ALDH1A1HTT |
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-1386072-A | Method for forming protective coating | CLARIANT FINANCE JAPAN K K (JP) | 2002-12-18 | — | — | CN | disclosed |