Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27652277 | 0.84 | TDP1 (0.39) | POLBEPHX1TDP1SSTR1SSTR4 | |
| Tert-Butyl Formate SCHEMBL28060477 | 0.81 | EPHX1 (0.44) | POLBEPHX1TDP1SSTR1SSTR4 | |
| SCHEMBL2016778 | 0.80 | POLB (0.83) | POLBEPHX1ALDH1A1EPHX2GNAI3 | |
| Tert-Butyl Formate SCHEMBL28064467 | 0.80 | SMN1; SMN2 (0.43) | TDP1ALDH1A1SMN1; SMN2EPHX2GABRP | |
| Tert-Butyl Formate SCHEMBL28279734 | 0.80 | TDP1 (0.45) | POLBTDP1SSTR1SSTR4ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28254488 | 0.80 | TDP1 (0.45) | POLBTDP1SSTR1SSTR4ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28134079 | 0.79 | SMN1; SMN2 (0.46) | POLBTDP1ALDH1A1SMN1; SMN2EPHX2 | |
| Hydrochloric Acid SCHEMBL1999078 | 0.79 | POLB (0.80) | POLBEPHX1ALDH1A1EPHX2GNAI3 | |
| Tert-Butyl Formate SCHEMBL27566302 | 0.78 | TDP1 (0.43) | POLBTDP1SSTR1SSTR4ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28035538 | 0.78 | TDP1 (0.43) | POLBTDP1ALDH1A1SMN1; SMN2EPHX2 |
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 |