Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CTSL | P07711 | 4/20 | 0.58 |
| ▸ | CTSK | P43235 | 1/20 | 0.58 |
| ▸ | CTSB | P07858 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | FURIN | P09958 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14938501 | 0.83 | ALDH1A1 (0.63) | ALDH1A1MAPTRAB9ASMN1; SMN2CTSL | |
| SCHEMBL22649382 | 0.83 | BCHE (0.64) | ALDH1A1MAPTRAB9ASMN1; SMN2CTSL | |
| SCHEMBL1562723 | 0.81 | GSTA1 (0.68) | ALDH1A1LMNAMAPTL3MBTL1RAB9A | |
| Phenyl(Methyl)Semicarbazone SCHEMBL27835565 | 0.80 | ALDH1A1 (1.00) | ALDH1A1LMNAMAPTL3MBTL1GAA | |
| Phenyl(Methyl)Semicarbazone SCHEMBL17119918 | 0.80 | ALDH1A1 (1.00) | ALDH1A1LMNAMAPTL3MBTL1GAA | |
| Phenyl(Methyl)Semicarbazone SCHEMBL28048924 | 0.80 | ALDH1A1 (1.00) | ALDH1A1LMNAMAPTL3MBTL1GAA | |
| SCHEMBL18725142 | 0.79 | CTSL (0.54) | ALDH1A1LMNARAB9ASMN1; SMN2CTSL | |
| SCHEMBL5998679 | 0.79 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTL3MBTL1RAB9A | |
| Benzophenone-Thiosemicarbazone SCHEMBL17666878 | 0.79 | CTSL (0.80) | CTSLCTSKCTSB | |
| SCHEMBL31621295 | 0.79 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTL3MBTL1GAA |
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-3966223-A1 | PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF | The Feinstein Institutes for Medical Research (US) | 2022-03-16 | — | — | EP | disclosed |