Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20020504 | 0.86 | GAA (0.51) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL18699685 | 0.84 | GAA (0.49) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL20020482 | 0.82 | GAA (0.47) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL22014136 | 0.73 | GAA (0.54) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL18699858 | 0.72 | CYP1A2 (0.53) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL4908980 | 0.71 | KMT2A (0.82) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL30071250 | 0.70 | GAA (0.76) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL626827 | 0.70 | GAA (0.76) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| Bromide SCHEMBL11500766 | 0.69 | GAA (0.73) | KMT2AMEN1SLC6A2SLC6A3GAA | |
| SCHEMBL27907982 | 0.69 | GAA (0.63) | KMT2AMEN1SLC6A2SLC6A3GAA |
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-2846798-B1 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-04-04 | — | — | EP | disclosed |