Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23906655 | 0.95 | EPHX1 (0.36) | EPHX1MAN1B1KDM4ELMNAMAPT | |
| SCHEMBL22813553 | 0.91 | IRAK4 (0.36) | EPHX1POLBJAK1ALDH1A1TSHR | |
| SCHEMBL19406900 | 0.91 | IRAK4 (0.36) | EPHX1POLBJAK1ALDH1A1TSHR | |
| SCHEMBL25970629 | 0.91 | IRAK4 (0.36) | EPHX1POLBJAK1ALDH1A1TSHR | |
| SCHEMBL23906651 | 0.91 | IRAK4 (0.36) | EPHX1POLBJAK1ALDH1A1TSHR | |
| SCHEMBL14730823 | 0.91 | IRAK4 (0.36) | EPHX1POLBJAK1ALDH1A1TSHR | |
| SCHEMBL20991719 | 0.89 | ADH1B (0.39) | EPHX1MAN1B1KDM4ELMNAACHE | |
| SCHEMBL1678693 | 0.88 | KDM4E (0.42) | EPHX1MAN1B1KDM4ELMNACHRM2 | |
| SCHEMBL22849028 | 0.87 | ADH1B (0.42) | EPHX1KDM4ELMNAACHECHRM2 | |
| SCHEMBL1356264 | 0.85 | KDM4E (0.46) | EPHX1MAN1B1KDM4ELMNACHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2951180-B1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME (US) | 2018-05-02 | — | — | EP | disclosed |