Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL3682450 | 0.85 | ESR1 (0.46) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL455094 | 0.82 | CA2 (0.55) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL201609 | 0.82 | GABRA1 (0.57) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL69586 | 0.82 | ALDH1A1 (0.56) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL8407830 | 0.80 | CA2 (0.52) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL28119481 | 0.80 | GABRA1 (0.55) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL29472991 | 0.80 | ALDH1A1 (0.54) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL2618674 | 0.80 | ALDH1A1 (0.54) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL11701905 | 0.80 | CA2 (0.52) | CA2CA1ESR1ESR2CYP1A2 | |
| SCHEMBL675962 | 0.79 | CA2 (0.58) | CA2CA1ESR1ESR2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5656684-A | Silanes containing oxalamide functional groups and their use as plastics additives | BAYER AG (DE) | 1997-08-12 | — | — | US | disclosed |
| EP-0664316-A1 | Polycarbonate composition having improved resistance to gamma-ray radiation | TEIJIN LIMITED (JP) | 1995-07-26 | — | — | EP | disclosed |