Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18039529 | 0.83 | RAB9A (0.38) | SMN1; SMN2KMT2AMEN1CA1CA2 | |
| SCHEMBL2171913 | 0.82 | NPC1 (0.41) | SMN1; SMN2KMT2AMEN1CA1CA2 | |
| SCHEMBL28039485 | 0.77 | PARP1 (0.40) | SMN1; SMN2KMT2AMEN1PARP1CA1 | |
| SCHEMBL27808388 | 0.75 | PARP1 (0.39) | SMN1; SMN2KMT2AMEN1PARP1CA1 | |
| SCHEMBL16056375 | 0.73 | KMT2A (0.60) | SMN1; SMN2KMT2AMEN1PARP1CA1 | |
| SCHEMBL27893711 | 0.72 | PARP1 (0.36) | SMN1; SMN2KMT2AMEN1PARP1CA1 | |
| SCHEMBL27893710 | 0.72 | PARP1 (0.36) | SMN1; SMN2KMT2AMEN1PARP1CA1 | |
| SCHEMBL29700890 | 0.72 | ALDH1A1 (0.45) | SMN1; SMN2KMT2AMEN1PARP1CA1 | |
| SCHEMBL16774281 | 0.72 | ALDH1A1 (0.45) | SMN1; SMN2KMT2AMEN1PARP1CA1 | |
| SCHEMBL4477529 | 0.72 | KCNN4 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103097389-B | 4, 7-dihydro-pyrazolo [1,5-a ] pyrazin-6-ylamine derivatives as inhibitors of beta-secretase (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2015-10-14 | — | — | CN | disclosed |
| EP-2097387-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |
| EP-1838304-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006065277-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | WO | disclosed |