Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | CFB | P00751 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6515577 | 0.83 | SMN1; SMN2 (0.42) | SMN1; SMN2TAAR1HDAC8NISCHCFB | |
| SCHEMBL1842317 | 0.82 | SMN1; SMN2 (0.48) | SMN1; SMN2TAAR1NISCHCFBADRA2A | |
| SCHEMBL25193298 | 0.80 | SMN1; SMN2 (0.40) | SMN1; SMN2TAAR1HDAC8NISCHCFB | |
| Bromide SCHEMBL5635020 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2TAAR1NISCHCFBADRA2A | |
| SCHEMBL5635021 | 0.77 | SMN1; SMN2 (0.43) | SMN1; SMN2TAAR1NISCHCFBADRA2A | |
| SCHEMBL218213 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2ADRA2AADRA2BADRA2C | |
| SCHEMBL29420719 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2ADRA2AADRA2BADRA2C | |
| SCHEMBL7452092 | 0.75 | ALDH1A1 (0.44) | SMN1; SMN2ACHEADRA2AADRA2BADRA2C | |
| SCHEMBL29825088 | 0.75 | ALDH1A1 (0.44) | SMN1; SMN2ACHEADRA2AADRA2BADRA2C | |
| SCHEMBL12670552 | 0.74 | SMN1; SMN2 (0.34) | SMN1; SMN2TAAR1HDAC8HTR5A |
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-3191479-B1 | \"PROCESS FOR THE PREPARATION OF MACROCYCLIC KETONE ANALOGS OF HALICHONDRIN B OR PHARMACEUTICALLY ACCEPTABLE SALTS AND INTERMEDIATES THEREOF\ | CIPLA LTD (IN) | 2020-04-08 | — | — | EP | disclosed |