Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19582754 | 0.87 | HTT (0.69) | HTTKMT2ANCF1HRH3PDE4B | |
| SCHEMBL29417617 | 0.87 | HTT (0.69) | HTTKMT2ANCF1HRH3PDE4B | |
| SCHEMBL22839725 | 0.81 | HTT (0.46) | HTTKMT2ANCF1HRH3PDE4B | |
| SCHEMBL5185746 | 0.76 | HTT (0.73) | HTTKMT2ANCF1HRH3PDE4B | |
| SCHEMBL2376586 | 0.75 | KDM4E (0.68) | HTTNCF1HRH3PDE4BSMN1; SMN2 | |
| SCHEMBL4943403 | 0.72 | HTT (0.59) | HTTKMT2ANCF1HRH3PDE4B | |
| SCHEMBL19603235 | 0.72 | HTT (0.62) | HTTKMT2ANCF1HRH3SMN1; SMN2 | |
| SCHEMBL538318 | 0.72 | HTT (0.58) | HTTNCF1HRH3PDE4BSMN1; SMN2 | |
| SCHEMBL4943379 | 0.71 | HTT (0.58) | HTTKMT2ANCF1HRH3SMN1; SMN2 | |
| SCHEMBL19582321 | 0.71 | HTT (0.48) | HTTKMT2ANCF1HRH3PDE4B |
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-3455226-B1 | SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | LUNDBECK LA JOLLA RESEARCH CENTER INC (US) | 2020-12-30 | — | — | EP | disclosed |