Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1131610 | 1.00 | PTGS2 (0.46) | PTGS2CA12CA1CA2TYR | |
| SCHEMBL4001179 | 0.86 | PTGS2 (0.47) | PTGS2CA12CA1CA2TYR | |
| SCHEMBL3883647 | 0.86 | PTGS2 (0.47) | PTGS2CA12CA1CA2TYR | |
| SCHEMBL12860083 | 0.85 | PTGS2 (0.44) | PTGS2ALDH1A1HPGDNR1H4FABP3 | |
| SCHEMBL1131274 | 0.85 | FABP3 (0.44) | PTGS2KDM4EKMT2AFABP3FABP4 | |
| SCHEMBL1131279 | 0.85 | FABP3 (0.44) | PTGS2KDM4EKMT2AFABP3FABP4 | |
| SCHEMBL1131312 | 0.79 | CMKLR1 (0.38) | PTGS2NR1H4FABP3FABP4KCNJ6 | |
| SCHEMBL1131311 | 0.79 | CMKLR1 (0.38) | PTGS2NR1H4FABP3FABP4KCNJ6 | |
| SCHEMBL5861842 | 0.78 | PTGS2 (0.43) | PTGS2ESR1FABP3FABP4GCGR | |
| SCHEMBL1131611 | 0.78 | PTGS2 (0.43) | PTGS2ESR1FABP3FABP4GCGR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1663105-B1 | CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2011-02-16 | — | — | EP | disclosed |