Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844790 | 0.82 | EPHX1 (0.35) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL30703877 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL21647593 | 0.76 | EPHX1 (0.39) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL16417089 | 0.71 | CHRNB2 (0.37) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL29289133 | 0.71 | CHRNB2 (0.37) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL18343822 | 0.71 | CHRNB2 (0.37) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7117503 | 0.70 | — | — | |
| SCHEMBL11066352 | 0.70 | — | — | |
| SCHEMBL15440677 | 0.69 | EPHX1 (0.41) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL29148637 | 0.67 | MEN1 (0.41) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |