Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19582321 | 0.88 | HTT (0.48) | HTTHIF1AEPAS1ABL1KCNH2 | |
| SCHEMBL29417627 | 0.88 | HTT (0.48) | HTTHIF1AEPAS1ABL1KCNH2 | |
| SCHEMBL22839724 | 0.81 | HTT (0.66) | HTTHIF1AEPAS1NCF1PDE4B | |
| SCHEMBL16243189 | 0.81 | HTT (0.65) | HTTHIF1APDE4BSMN1; SMN2HPGD | |
| SCHEMBL30206675 | 0.79 | HTT (0.47) | HTTPDE4BSMN1; SMN2HPGDKMT2A | |
| SCHEMBL30206676 | 0.75 | HTT (0.48) | HTTPDE4BSMN1; SMN2HPGDKMT2A | |
| SCHEMBL30206828 | 0.74 | HTT (0.47) | HTTSMN1; SMN2HPGDKMT2AMEN1 | |
| SCHEMBL19603341 | 0.74 | ERN1 (0.51) | HTTNCF1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL15155737 | 0.74 | HTT (0.61) | HTTHIF1APDE4BSMN1; SMN2KMT2A | |
| SCHEMBL13638957 | 0.73 | HRH3 (0.49) | HTTHIF1AEPAS1NCF1SMN1; SMN2 |
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 |