Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA4 | P22748 | 4/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 3/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2393450 | 0.89 | ESR1 (0.46) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL9515758 | 0.87 | PTGER3 (0.43) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL9515747 | 0.87 | PTGER3 (0.43) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL6668620 | 0.85 | ESR1 (0.48) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2394180 | 0.85 | ESR1 (0.51) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL6678566 | 0.85 | ESR1 (0.48) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL6855197 | 0.84 | CA1 (0.47) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2865033 | 0.84 | CA1 (0.47) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2392659 | 0.83 | ESR1 (0.46) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL16048816 | 0.81 | CA1 (0.53) | ESR1CA1CA2CA4NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE42700-E1 | Induction of apoptosis in cancer cells | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2011-09-13 | — | — | US | disclosed |