Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18039462 | 0.83 | OGG1 (0.39) | CA1CA2CA5ACA9SMN1; SMN2 | |
| SCHEMBL2175561 | 0.82 | SMN1; SMN2 (0.36) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL29154710 | 0.82 | SCN5A (0.45) | PARP1KIF11PKM | |
| SCHEMBL29118559 | 0.81 | KMT2A (0.48) | SMN1; SMN2KMT2AMEN1KIF11PKM | |
| SCHEMBL27893710 | 0.81 | PARP1 (0.36) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL27893711 | 0.81 | PARP1 (0.36) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL27808388 | 0.78 | PARP1 (0.39) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL4434733 | 0.77 | SMN1; SMN2 (0.40) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL27911530 | 0.75 | SMN1; SMN2 (0.35) | PARP1CA1CA2CA5ACA9 | |
| SCHEMBL28781154 | 0.75 | PARP1 (0.41) | PARP1CA1CA2CA5ACA9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |