Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28060489 | 0.82 | TDP1 (0.45) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL27838561 | 0.81 | TDP1 (0.41) | TDP1HPGDCA2CA12CA1 | |
| SCHEMBL6112 | 0.81 | MAPT (0.48) | MAPTCA2CA12CA1CA9 | |
| Tert-Butyl Formate SCHEMBL28290445 | 0.81 | TDP1 (0.43) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL27722072 | 0.81 | TDP1 (0.43) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL28785798 | 0.81 | GAA (0.40) | TDP1HPGDCA2CA12CA1 | |
| Hydrochloric Acid SCHEMBL27626557 | 0.79 | MAPT (0.47) | HPGDMAPTCA2CA12CA1 | |
| Hydrochloric Acid SCHEMBL3845854 | 0.79 | MAPT (0.47) | HPGDMAPTCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL27836174 | 0.78 | TPSAB1 (0.42) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL28827129 | 0.78 | POLB (0.46) | TDP1HPGDCA2CA12CA1 |
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-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |