Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | FER | P16591 | 1/20 | 0.39 |
| ▸ | LTK | P29376 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8579713 | 0.74 | HTR2C (0.40) | ALDH1A1MAOAMAOBSMN1; SMN2MAPT | |
| SCHEMBL5260675 | 0.74 | KDM4E (0.37) | ALDH1A1MAOAMAOBPDGFRAFER | |
| SCHEMBL2636968 | 0.72 | MAPT (0.54) | ALDH1A1CYP3A4MAPTTDP1POLB | |
| SCHEMBL8577537 | 0.72 | TDP2 (0.43) | ALDH1A1KDM4EHPGDGSK3BMAPT | |
| SCHEMBL3432668 | 0.72 | LIG1 (0.39) | ALDH1A1MAOAMAOBPDGFRAFER | |
| SCHEMBL1031209 | 0.71 | PDK2 (0.42) | PDK2PDK4POLBBRD4 | |
| SCHEMBL29384370 | 0.71 | PDK2 (0.42) | PDK2PDK4POLBBRD4 | |
| SCHEMBL25631719 | 0.70 | L3MBTL1 (0.48) | ALDH1A1MAOAKDM4EGSK3BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2482151 | 0.69 | PDK2 (0.41) | ALDH1A1KDM4EHPGDPDK2PDK4 | |
| SCHEMBL13469502 | 0.69 | ALDH1A1 (0.52) | ALDH1A1MAOAMAOBPDGFRAFER |
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-1583745-A1 | 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-10-12 | — | — | EP | claimed |
| WO-2004063163-A1 | 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-07-29 | — | — | WO | claimed |