Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | S100B | P04271 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7723028 | 0.84 | CDK4 (0.35) | CDK4CCND1GSK3BCASP3CASP2 | |
| SCHEMBL5996608 | 0.81 | PARP1 (0.39) | ALDH1A1HTTLMNAL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL7723748 | 0.80 | PARP1 (0.38) | GSK3BALDH1A1KDM4EHTTLMNA | |
| SCHEMBL7718684 | 0.80 | GSK3B (0.41) | CDK4CCND1GSK3BALDH1A1MEN1 | |
| SCHEMBL7883990 | 0.74 | HTR1A (0.38) | CDK4CCND1GSK3BALDH1A1 | |
| SCHEMBL7722975 | 0.70 | HTR1A (0.43) | — | |
| Hydrochloric Acid SCHEMBL7727011 | 0.70 | KDM4E (0.43) | ALDH1A1KDM4EHTTLMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL7882760 | 0.69 | HTR1A (0.42) | LMNAMAPT | |
| SCHEMBL7964016 | 0.69 | KMT2A (0.36) | ALDH1A1KDM4EHTTLMNAL3MBTL1 | |
| SCHEMBL29614674 | 0.68 | PARP1 (0.43) | CDK4CCND1GSK3BCASP3CASP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37729-E1 | 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility | AVENTIS PHARMACEUTICALS INC. | 2002-06-04 | — | — | US | disclosed |
| US-RE37478-E1 | COMPOUNDS WITH HETEROCYCLIC AMINO COMPOUNDS | AVENTIS PHARMACEUTICALS, INC. | 2001-12-18 | — | — | US | disclosed |