Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26926174 | 0.98 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| SCHEMBL29024165 | 0.83 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2CA2 | |
| SCHEMBL28518838 | 0.82 | SMN1; SMN2 (0.44) | CYP3A4TDP1ESR1ESR2CA2 | |
| Methoxymethane SCHEMBL9622762 | 0.82 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2CA2 | |
| SCHEMBL484365 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CA2 | |
| SCHEMBL1654463 | 0.81 | TDP1 (0.57) | CYP3A4TDP1ESR1ESR2CA2 | |
| Methoxymethane SCHEMBL28458551 | 0.79 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2CA2 | |
| Methoxymethane SCHEMBL15347765 | 0.79 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2CA2 | |
| Phosphine SCHEMBL9631269 | 0.79 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CA2 | |
| SCHEMBL3931585 | 0.79 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2CA2 |
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-104169273-B | Dihydrofuran azetidine derivatives as antiparasitic | 硕腾服务有限责任公司 | 2016-11-02 | — | — | CN | disclosed |