Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2532552 | 0.77 | HPGD (0.44) | KDM4EALDH1A1TDP1MAPTHPGD | |
| SCHEMBL23459776 | 0.76 | ABCB1 (0.39) | KDM4EALDH1A1TDP1MAPTHPGD | |
| SCHEMBL3081849 | 0.74 | HCAR2 (0.47) | ALDH1A1TDP1MAPTHPGDTSHR | |
| SCHEMBL4651960 | 0.74 | ALDH1A1 (0.49) | ALDH1A1TDP1MAPTHPGDCYP3A4 | |
| SCHEMBL4878311 | 0.74 | HPGD (0.47) | KDM4EALDH1A1TDP1MAPTHPGD | |
| SCHEMBL3820448 | 0.72 | ALDH1A1 (0.74) | KDM4EALDH1A1TDP1MAPTHPGD | |
| SCHEMBL2533468 | 0.72 | ALDH1A1 (0.43) | KDM4EALDH1A1TDP1MAPTHPGD | |
| SCHEMBL2530507 | 0.72 | ALDH1A1 (0.43) | KDM4EALDH1A1TDP1MAPTHPGD | |
| SCHEMBL2526880 | 0.72 | TSHR (0.47) | KDM4EALDH1A1TDP1MAPTHPGD | |
| SCHEMBL4880223 | 0.72 | RAB9A (0.50) | KDM4EALDH1A1MAPTHPGDTSHR |
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 |