Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL21802925 | 0.78 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2POLBKMT2AMEN1 | |
| SCHEMBL10360057 | 0.78 | EPHX1 (0.37) | EPHX1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6222074 | 0.75 | CHRM2 (0.31) | EPHX1CHRNB2CHRNA4SMN1; SMN2 | |
| SCHEMBL966619 | 0.73 | EPHX1 (0.39) | EPHX1HDAC4HDAC1HDAC6CHRNB2 | |
| SCHEMBL21813738 | 0.72 | TDP1 (0.44) | EPHX1HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL102217 | 0.72 | — | — | |
| SCHEMBL4485811 | 0.72 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1GAAFAAH | |
| SCHEMBL28446729 | 0.71 | — | — | |
| Ethane SCHEMBL23013321 | 0.70 | CES2 (0.33) | ALDH1A1 | |
| Methyl Alcohol SCHEMBL7718124 | 0.70 | CA2 (0.32) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105308034-B | Phosphatidylinositol 3-kinase inhibitors | 吉利德科学公司 | 2017-10-31 | — | — | CN | disclosed |
| WO-2005035551-A2 | INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES | INCYTE CORPORATION (US) | 2005-04-21 | — | — | WO | disclosed |