Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 4/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5239231 | 0.79 | AKR1C3 (0.47) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL2931454 | 0.78 | AKR1C3 (0.56) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL30184304 | 0.75 | RXRA (0.68) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL2878702 | 0.75 | AKR1C3 (0.61) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL592781 | 0.75 | RXRA (0.68) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL930874 | 0.74 | KMT2A (0.61) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL8517905 | 0.74 | AKR1C3 (0.59) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL27935297 | 0.73 | AKR1C3 (0.63) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL9005586 | 0.72 | AKR1C3 (0.58) | AKR1C3KMT2AFOLH1NR4A2KMO | |
| SCHEMBL29472341 | 0.72 | AKR1C3 (0.58) | AKR1C3KMT2ANR4A2KMOPPARG |
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 4 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 |
| EP-1851208-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2007077004-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |
| WO-2006074950-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |