Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8899743 | 0.91 | PARP1 (0.34) | PARP1HTTRPS6KB1CXCR2KDM4E | |
| SCHEMBL4951728 | 0.85 | PARP1 (0.42) | PARP1HTTRPS6KB1CXCR2KDM4E | |
| SCHEMBL8897703 | 0.84 | SOAT1 (0.36) | PARP1HTTRPS6KB1MEN1KMT2A | |
| SCHEMBL8898159 | 0.82 | CYP3A4 (0.42) | PARP1HTTRPS6KB1ALDH1A1MEN1 | |
| SCHEMBL8900078 | 0.81 | KDM4E (0.38) | PARP1HTTRPS6KB1KDM4EMEN1 | |
| SCHEMBL8898691 | 0.81 | — | — | |
| SCHEMBL8896415 | 0.81 | PARP1 (0.35) | PARP1HTTRPS6KB1KDM4EALDH1A1 | |
| SCHEMBL8897871 | 0.76 | KDM4E (0.34) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL4069559 | 0.74 | PARP1 (0.40) | PARP1HTTRPS6KB1CXCR2KDM4E | |
| SCHEMBL8899737 | 0.72 | PARP1 (0.35) | PARP1HTTRPS6KB1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5703091-A | N-substituted azabicycloalkane derivatives, their preparation and use | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-30 | — | — | US | disclosed |