Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | FNTA | P49354 | 1/20 | 0.48 |
| ▸ | FNTB | P49356 | 1/20 | 0.48 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2132882 | 0.84 | EPHX1 (0.63) | EPHX1ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL2132888 | 0.84 | EPHX1 (0.63) | EPHX1ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL7881494 | 0.84 | EPHX1 (0.63) | EPHX1ACHEKMT2AALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL6276059 | 0.82 | EPHX1 (0.61) | EPHX1ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL16358910 | 0.81 | EPHX1 (0.64) | EPHX1ACHEKMT2AMEN1KDM4E | |
| SCHEMBL23573505 | 0.81 | EPHX1 (0.68) | EPHX1ACHEKMT2AMEN1KDM4E | |
| SCHEMBL7936727 | 0.81 | EPHX1 (0.63) | EPHX1ACHEKMT2AMEN1KDM4E | |
| SCHEMBL2131537 | 0.81 | EPHX1 (0.68) | EPHX1ACHEKMT2AMEN1KDM4E | |
| SCHEMBL23573324 | 0.81 | EPHX1 (0.68) | EPHX1ACHEKMT2AMEN1KDM4E | |
| SCHEMBL10025510 | 0.81 | MEN1 (0.50) | EPHX1ACHEKMT2AALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011060397-A1 | SUBSTITUTED AMINO HETEROCYCLES USEFUL AS HIV ANTAGONISTS | SCHERING CORPORATION (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011060396-A1 | ALIPHATIC AMINES BASED HETEROCYCLES USEFUL AS HIV ENTRY BLOCKERS | SCHERING CORPORATION (US) | 2011-05-19 | — | — | WO | disclosed |