Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL965310 | 0.83 | EPHX1 (0.61) | EPHX1POLBSSTR1SSTR4GNAI3 | |
| Hydrochloric Acid SCHEMBL2014760 | 0.82 | EPHX1 (0.59) | EPHX1POLBSSTR1SSTR4GNAI3 | |
| Tert-Butyl Formate SCHEMBL28865514 | 0.82 | ALDH1A1 (0.56) | EPHX1SSTR1SSTR4 | |
| Tert-Butyl Formate SCHEMBL28130512 | 0.81 | GNAI3 (0.43) | EPHX1POLBTDP1SSTR1SSTR4 | |
| Tert-Butyl Formate SCHEMBL28060423 | 0.81 | POLB (0.56) | EPHX1POLBTDP1SSTR1SSTR4 | |
| Tert-Butyl Formate SCHEMBL27410595 | 0.79 | TDP1 (0.46) | EPHX1POLBTDP1SSTR1SSTR4 | |
| Tert-Butyl Formate SCHEMBL27987725 | 0.79 | TDP1 (0.46) | EPHX1POLBTDP1SSTR1SSTR4 | |
| Tert-Butyl Formate SCHEMBL27834962 | 0.78 | GAA (0.39) | EPHX1POLBTDP1SSTR1SSTR4 | |
| Formic Acid SCHEMBL7216484 | 0.78 | BTK (0.48) | EPHX1POLBGNAI3GNAO1GNAI1 | |
| Tert-Butyl Formate SCHEMBL28064467 | 0.78 | SMN1; SMN2 (0.43) | TDP1EPHX2 |
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 |