Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPY1R | P25929 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | BMP1 | P13497 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8120019 | 0.92 | ITGB3 (0.41) | CASRCNR1CNR2EPHX1ALDH1A1 | |
| SCHEMBL8126974 | 0.91 | ASAH1 (0.41) | CNR1CNR2EPHX1ALDH1A1HDAC1 | |
| SCHEMBL8129753 | 0.91 | BCHE (0.40) | CASRALDH1A1TDP1 | |
| SCHEMBL8127804 | 0.88 | GAA (0.41) | ALDH1A1NPY1RRAB9A | |
| SCHEMBL8119335 | 0.88 | TRPV1 (0.41) | NPY1RNPSR1 | |
| SCHEMBL8119334 | 0.87 | NPY1R (0.47) | NPY1R | |
| SCHEMBL8112524 | 0.86 | KMT2A (0.47) | ALDH1A1NPSR1NPC1RAB9A | |
| SCHEMBL8120228 | 0.85 | NPY1R (0.38) | ALDH1A1NPY1RTLR2 | |
| SCHEMBL8127573 | 0.85 | MTNR1A (0.42) | — | |
| SCHEMBL8120923 | 0.84 | NPY1R (0.39) | NPY1RTLR2 |
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-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |