Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162314 | 0.83 | CCR5 (0.38) | ALDH1A1MEN1KMT2AMAPK1SLC6A4 | |
| SCHEMBL6940264 | 0.83 | SLC6A2 (0.44) | ALDH1A1MEN1KMT2AMAPK1SLC6A4 | |
| Hydrochloric Acid SCHEMBL5846847 | 0.82 | CCR5 (0.37) | ALDH1A1MEN1KMT2AMAPK1SLC6A4 | |
| SCHEMBL5846181 | 0.73 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AMAPK1SLC6A4 | |
| SCHEMBL6939738 | 0.73 | CCR5 (0.41) | MEN1KMT2ASLC6A4SLC6A2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5846854 | 0.72 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AMAPK1SLC6A4 | |
| SCHEMBL6679404 | 0.72 | SLC6A2 (0.42) | SLC6A4SLC6A2SIGMAR1CCR5TAAR1 | |
| SCHEMBL6677382 | 0.72 | CCR5 (0.37) | ALDH1A1MEN1KMT2AMAPK1SLC6A4 | |
| SCHEMBL6940299 | 0.71 | SLC6A2 (0.44) | SLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL7497452 | 0.71 | SLC6A4 (0.39) | SLC6A4SLC6A2SIGMAR1SLC6A3 |
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-1043307-B1 | 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use | GRUENENTHAL GMBH (DE) | 2003-06-04 | — | — | EP | disclosed |