Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.46 |
| ▸ | ALPG | P10696 | 1/20 | 0.45 |
| ▸ | PDE6D | O43924 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL1306747 | 0.86 | ESR1 (0.69) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL7095574 | 0.85 | ESR1 (0.68) | ESR1PLAAALPGPDE6DCYP3A4 | |
| Hydrochloric Acid SCHEMBL10366282 | 0.84 | ESR1 (0.67) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL462620 | 0.83 | ESR1 (0.60) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL17219702 | 0.82 | ESR1 (0.64) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL20083767 | 0.82 | ESR1 (0.64) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL9444420 | 0.82 | ESR1 (0.64) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL5662079 | 0.82 | ESR1 (0.69) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL27850097 | 0.81 | ESR1 (0.58) | ESR1PLAAALPGPDE6DCYP3A4 | |
| SCHEMBL8910757 | 0.81 | ESR1 (0.59) | ESR1PLAAALPGPDE6DCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105164125-B | 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives | 豪夫迈·罗氏有限公司 | 2017-10-13 | — | — | CN | claimed |
| CN-105164125-A | 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives | HOFFMANN LA ROCHE | 2015-12-16 | — | — | CN | claimed |
| CN-105164125-B | 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives | 豪夫迈·罗氏有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-105164125-A | 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives | HOFFMANN LA ROCHE | 2015-12-16 | — | — | CN | disclosed |