Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16879489 | 0.87 | STS (0.45) | CA12CA1CA2CA3CA4 | |
| SCHEMBL16879766 | 0.82 | MKNK1 (0.35) | SCN9ACA12CA1CA2CA3 | |
| SCHEMBL16879739 | 0.81 | CYP11B1 (0.38) | CA12CA1CA2CA3CA4 | |
| SCHEMBL16879726 | 0.80 | CA12 (0.32) | CA12CA1CA2CA3CA4 | |
| SCHEMBL16880235 | 0.76 | MKNK1 (0.36) | — | |
| SCHEMBL16879731 | 0.75 | RAB9A (0.42) | POLB | |
| SCHEMBL16880236 | 0.74 | MEN1 (0.36) | CA2STSCYP19A1USP2MAPK1 | |
| SCHEMBL16879500 | 0.73 | CYP19A1 (0.42) | CA12CA1CA2CA9STS | |
| SCHEMBL16879849 | 0.72 | CYP19A1 (0.49) | CA12CA1CA2CA9STS | |
| SCHEMBL16879867 | 0.72 | STS (0.38) | SCN9ACA12CA1CA2CA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3089966-A1 | NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE | Beaufour Ipsen Tianjin Pharmaceutical Co., Ltd (CN) | 2016-11-09 | — | — | EP | disclosed |
| WO-2015100609-A1 | NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE | BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) | 2015-07-09 | — | — | WO | disclosed |