Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.54 |
| ▸ | HPGD | P15428 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.54 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.54 |
| ▸ | GGT1 | P19440 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | LIG1 | P18858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9774243 | 0.87 | LIG1 (0.55) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL668774 | 0.86 | SMN1; SMN2 (0.58) | MAPK1KDM4EHPGDALDH1A1TSHR | |
| SCHEMBL7634575 | 0.83 | TSHR (0.51) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL4343007 | 0.82 | CYP3A4 (0.47) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 | |
| Dipyrocetyl SCHEMBL29508594 | 0.80 | MAPK1 (1.00) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 | |
| Dipyrocetyl SCHEMBL26164 | 0.80 | MAPK1 (1.00) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL3944765 | 0.80 | LIG1 (0.54) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL5243985 | 0.80 | LIG1 (0.48) | MAPK1KDM4EHPGDALDH1A1TSHR | |
| SCHEMBL27051428 | 0.80 | LIG1 (0.45) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 | |
| Dipyrocetyl SCHEMBL11121474 | 0.79 | MAPK1 (0.96) | MAPK1KDM4EHPGDHSD17B10ALDH1A1 |
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-1851208-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006074950-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |