Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 3/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13475881 | 0.84 | CA1 (0.48) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL28840266 | 0.83 | CA1 (0.35) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL30002551 | 0.82 | CA1 (0.52) | CA1CA2CA9CA5ACA5B | |
| Cyclohexanone SCHEMBL28839585 | 0.80 | PTGS2 (0.45) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL28536479 | 0.76 | CA1 (0.38) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL15173963 | 0.75 | CA1 (0.36) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL27547768 | 0.75 | CA1 (0.36) | CA1CA2CA9CA5ACA5B | |
| SCHEMBL20572299 | 0.73 | AKR1C3 (0.53) | ALDH1A1PTGS2SMN1; SMN2 | |
| SCHEMBL16500277 | 0.73 | AKR1C3 (0.53) | ALDH1A1PTGS2SMN1; SMN2 | |
| Benzaldehyde SCHEMBL11201800 | 0.71 | ALDH1A1 (0.61) | ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2 |
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-110741053-A | Coating composition | 株式会社ADEKA | 2020-01-31 | — | — | CN | disclosed |