Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 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 SCHEMBL27722072 | 0.85 | TDP1 (0.43) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL28290445 | 0.85 | TDP1 (0.43) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL27798924 | 0.83 | TDP1 (0.38) | TDP1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| Tert-Butyl Formate SCHEMBL27772377 | 0.82 | TDP1 (0.48) | TDP1HPGDCYP1A2HSP90AA1HSP90AB1 | |
| Tert-Butyl Formate SCHEMBL27838561 | 0.82 | TDP1 (0.41) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL28060441 | 0.82 | TDP1 (0.41) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL28827129 | 0.82 | POLB (0.46) | TDP1HPGDCA2CA12CA1 | |
| Tert-Butyl Formate SCHEMBL27836174 | 0.82 | TPSAB1 (0.42) | TDP1HPGDCA2CA12CA1 | |
| N-(Ethoxycarbonyl)Piperazine SCHEMBL28060548 | 0.81 | TSHR (0.42) | TDP1CYP1A2GAAKDM4ESMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27878208 | 0.80 | TDP1 (0.50) | TDP1HPGDSIGMAR1 |
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 |