Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.80 |
| ▸ | ESR1 | P03372 | 4/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.30 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.30 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.30 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL246983 | 1.00 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5390312 | 1.00 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3355541 | 1.00 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL561726 | 0.90 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL81285 | 0.90 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3181354 | 0.90 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL9420677 | 0.90 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL2387556 | 0.90 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL1951204 | 0.90 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.89 | TDP1 (1.00) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115605468-A | Process for the preparation of 2-chloro-n- (1-cyanocyclopropyl) -5- [2' -methyl-5 ' - (pentafluoroethyl) -4' - (trifluoromethyl) -2'h-1,3' -bipyrazol-4-yl ] benzamide | 威隆股份公司（FR） | 2023-01-13 | — | — | CN | disclosed |