Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22069603 | 0.92 | HSPB1 (0.56) | HSPB1MAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL22114132 | 0.87 | HSPB1 (0.63) | HSPB1MAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL22069645 | 0.84 | MAPT (0.67) | MAPTLMNASMN1; SMN2HPGDTDP1 | |
| SCHEMBL296681 | 0.82 | TDP1 (0.64) | HSPB1MAPTLMNASMN1; SMN2HPGD | |
| SCHEMBL15820188 | 0.81 | HSPB1 (0.80) | HSPB1MAPTSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL1341648 | 0.80 | L3MBTL1 (0.55) | HSPB1MAPTLMNASMN1; SMN2TDP1 | |
| SCHEMBL1339153 | 0.80 | MEN1 (0.58) | HSPB1MAPTLMNASMN1; SMN2TDP1 | |
| SCHEMBL1583899 | 0.79 | HSPB1 (0.63) | HSPB1MAPTLMNASMN1; SMN2TDP1 | |
| SCHEMBL1341322 | 0.79 | L3MBTL1 (0.46) | HSPB1MAPTLMNASMN1; SMN2TDP1 | |
| SCHEMBL3188456 | 0.78 | HSPB1 (0.52) | HSPB1MAPTLMNASMN1; SMN2TDP1 |
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-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |