Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15375412 | 0.84 | HCAR2 (0.42) | ALDH1A1HCAR2TDP1TSHRMAPK1 | |
| SCHEMBL3081849 | 0.82 | HCAR2 (0.47) | ALDH1A1HCAR2TDP1TSHRMAPK1 | |
| SCHEMBL4874190 | 0.77 | SMN1; SMN2 (0.38) | ALDH1A1HCAR2TDP1TSHRMAPK1 | |
| SCHEMBL541750 | 0.77 | HCAR2 (0.51) | ALDH1A1HCAR2TDP1MAPK1L3MBTL1 | |
| SCHEMBL7958550 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRMAPK1L3MBTL1 | |
| SCHEMBL8651697 | 0.76 | HCAR2 (0.50) | ALDH1A1HCAR2TDP1MAPK1L3MBTL1 | |
| SCHEMBL28114187 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HCAR2TDP1TSHRMAPK1 | |
| SCHEMBL8593724 | 0.75 | HCAR2 (0.41) | ALDH1A1HCAR2TDP1TSHRMAPK1 | |
| SCHEMBL13684203 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HCAR2TDP1MAPK1L3MBTL1 | |
| SCHEMBL8101654 | 0.75 | HCAR2 (0.49) | ALDH1A1HCAR2TDP1TSHRMAPK1 |
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-1968954-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077004-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |