Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 2/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8897692 | 0.93 | PARP1 (0.33) | PARP1HTTRPS6KB1BRD4KDM4E | |
| SCHEMBL8896415 | 0.91 | PARP1 (0.35) | PARP1HTTRPS6KB1CXCR5KDM4E | |
| SCHEMBL8899743 | 0.81 | PARP1 (0.34) | PARP1HTTRPS6KB1BRD4KDM4E | |
| SCHEMBL8898151 | 0.80 | CYP3A4 (0.43) | PARP1HTTRPS6KB1CXCR5ALDH1A1 | |
| SCHEMBL8900069 | 0.80 | KDM4E (0.39) | PARP1HTTRPS6KB1CXCR5KDM4E | |
| SCHEMBL8897703 | 0.74 | SOAT1 (0.36) | PARP1HTTRPS6KB1MEN1KMT2A | |
| SCHEMBL8897200 | 0.74 | ALDH1A1 (0.32) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL8897241 | 0.72 | BRD4 (0.30) | BRD4 | |
| SCHEMBL8896422 | 0.72 | PARP1 (0.35) | PARP1HTTRPS6KB1KDM4EALDH1A1 | |
| SCHEMBL8898141 | 0.71 | MEN1 (0.33) | HTTKDM4EALDH1A1GAAMEN1 |
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 |