Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | GHSR | Q92847 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8063079 | 1.00 | ABCB1 (0.43) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL8061462 | 0.90 | POLB (0.43) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL30207229 | 0.90 | POLB (0.43) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL28795618 | 0.90 | POLB (0.43) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL30181418 | 0.90 | POLB (0.43) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL28549464 | 0.89 | PARP1 (0.46) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL7918334 | 0.85 | ABCB1 (0.48) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL7918342 | 0.85 | ABCB1 (0.48) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL7918337 | 0.85 | ABCB1 (0.48) | ABCB1PARP1NR1H2NR1H3AGTR2 | |
| SCHEMBL13759694 | 0.85 | ABCB1 (0.56) | ABCB1PARP1NR1H2NR1H3AGTR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100797-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LTD (GB) | 2003-02-26 | — | — | EP | disclosed |