Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA4 | P22748 | 4/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.42 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA3 | P07451 | 3/20 | 0.40 |
| ▸ | CA6 | P23280 | 3/20 | 0.40 |
| ▸ | CA5A | P35218 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6678566 | 0.84 | ESR1 (0.48) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2394180 | 0.84 | ESR1 (0.51) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL6668620 | 0.84 | ESR1 (0.48) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2394170 | 0.83 | MIF (0.46) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2865033 | 0.83 | CA1 (0.47) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL6855197 | 0.83 | CA1 (0.47) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2388955 | 0.83 | ESR1 (0.47) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2389151 | 0.81 | KDM4E (0.47) | CA1CA2CA4CSNK2A2CSNK2B | |
| SCHEMBL1405663 | 0.79 | KDM4E (0.46) | ESR1CA1CA2CA4NFKB1 | |
| SCHEMBL2393450 | 0.78 | ESR1 (0.46) | 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 |