Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | QDPR | P09417 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11543936 | 0.84 | QDPR (0.66) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL14262836 | 0.78 | PDK4 (0.56) | MAPK1 | |
| SCHEMBL21767869 | 0.75 | NAMPT (0.41) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL2241959 | 0.73 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL4812808 | 0.73 | CNR1 (0.44) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL15140927 | 0.71 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL10354114 | 0.71 | QDPR (0.44) | ALDH1A1KMT2ANPC1RAB9AQDPR | |
| SCHEMBL1193355 | 0.70 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL28811687 | 0.70 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL14496802 | 0.70 | QDPR (0.70) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008101665-A1 | MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | NOVARTIS AG (CH) | 2008-08-28 | — | — | WO | disclosed |