Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9622879 | 0.84 | SMN1; SMN2 (0.49) | EPHX2NR1H4SMN1; SMN2ALDH1A1HTT | |
| Water SCHEMBL9623050 | 0.83 | SMN1; SMN2 (0.48) | EPHX2NR1H4SMN1; SMN2ALDH1A1HTT | |
| Water SCHEMBL9623052 | 0.83 | SMN1; SMN2 (0.48) | EPHX2NR1H4SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL9623214 | 0.83 | NSD2 (0.44) | EPHX2POLBHIF1AMMP13KDM4E | |
| SCHEMBL8772585 | 0.77 | KMT2A (0.49) | SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL9622615 | 0.74 | SIGMAR1 (0.45) | MMP13MMP2 | |
| SCHEMBL6257293 | 0.71 | MAPK14 (0.70) | EPHX2NR1H4SMN1; SMN2ALDH1A1NFKB1 | |
| SCHEMBL8772657 | 0.70 | MMP13 (0.62) | MMP13MMP2 | |
| SCHEMBL9622442 | 0.69 | BCHE (0.52) | ALDH1A1 | |
| SCHEMBL5508324 | 0.69 | ALDH1A1 (0.70) | EPHX2NR1H4SMN1; SMN2ALDH1A1NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5137895-A | Antiemetic, anxiolytic, gastric emptying and serotonin modulating activity | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-08-11 | — | — | US | disclosed |