Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL21104547 | 0.81 | ALDH1A1 (0.52) | SMN1; SMN2TDP1ALDH1A1CYP3A4MAPT | |
| SCHEMBL76201 | 0.81 | ALDH1A1 (0.52) | CYP19A1SMN1; SMN2MAPK1ALDH1A1CYP3A4 | |
| SCHEMBL25968454 | 0.80 | MEN1 (0.40) | TDP1MAPK1ALDH1A1CYP3A4MAPT | |
| SCHEMBL30059265 | 0.80 | MEN1 (0.40) | TDP1MAPK1ALDH1A1CYP3A4MAPT | |
| SCHEMBL22114122 | 0.80 | ACHE (0.45) | NQO2SMN1; SMN2ALDH1A1CYP3A4MAPT | |
| SCHEMBL25141899 | 0.79 | TUBB1 (0.41) | CYP19A1SMN1; SMN2MAPK1TAAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27868120 | 0.79 | MAPT (0.53) | CYP19A1SMN1; SMN2MAPK1ALDH1A1MAPT | |
| SCHEMBL22069556 | 0.79 | CYP1A2 (0.40) | SMN1; SMN2ALDH1A1CYP3A4MAPTKDM4E | |
| SCHEMBL1137120 | 0.79 | MET (0.38) | SMN1; SMN2ALDH1A1CYP3A4MAPTRAB9A | |
| SCHEMBL4093253 | 0.78 | MAOA (0.52) | SMN1; SMN2ALDH1A1CYP3A4MAPTRAB9A |
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 2 patents. 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 |
| EP-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |