Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.92 |
| ▸ | ESR1 | P03372 | 4/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3710821 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL1747083 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3931585 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL4718125 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL236600 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5968399 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL224846 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL201704 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL722872 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118290402-A | Aminopyrazine diol compounds as PI 3K-gamma inhibitors | 因赛特公司 | 2024-07-05 | — | — | CN | disclosed |
| WO-2021131942-A1 | FLUORENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND APPLICATION OF SAME | 大阪ガスケミカル株式会社 | 2021-07-01 | — | — | WO | disclosed |
| WO-2020213470-A1 | DICARBOXYLIC ACIDS, AND PRODUCTION METHOD AND USE THEREOF | 大阪ガスケミカル株式会社 | 2020-10-22 | — | — | WO | disclosed |