Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP9 | P55211 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | MC3R | P41968 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15550056 | 0.82 | HSPB1 (0.56) | ALDH1A1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL15552702 | 0.81 | HSPB1 (0.55) | BRD4 | |
| SCHEMBL15551621 | 0.80 | HSPB1 (0.54) | ALDH1A1BRD4KMT2AMAPT | |
| SCHEMBL15550839 | 0.80 | BRD4 (0.47) | ALDH1A1CASP1CASP3CASP4CASP7 | |
| SCHEMBL16791912 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HIF1ACASP1CASP3CASP4 | |
| SCHEMBL15552065 | 0.78 | BRD4 (0.40) | ALDH1A1BRD4CYP3A4TDP1MAPT | |
| SCHEMBL15552160 | 0.77 | BRD4 (0.50) | ALDH1A1BRD4KMT2AMAPT | |
| SCHEMBL15551876 | 0.77 | BRD4 (0.50) | ALDH1A1BRD4KMT2AMAPTPTGS2 | |
| SCHEMBL15551328 | 0.76 | BRD4 (0.46) | ALDH1A1HIF1ACASP1CASP3CASP4 | |
| SCHEMBL15550329 | 0.76 | BRD4 (0.65) | ALDH1A1HIF1AGHSRBRD4CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2858990-A1 | PYRIDINONE AND PYRIDAZINONE DERIVATIVES | AbbVie Inc. (US) | 2015-04-15 | — | — | EP | disclosed |
| EP-2858982-A1 | PYRIDINONE AND PYRIDAZINONE DERIVATIVES | AbbVie Inc. (US) | 2015-04-15 | — | — | EP | disclosed |
| WO-2013185284-A1 | PYRIDINONE AND PYRIDAZINONE DERIVATIVES | ABBOTT LABORATORIES (US) | 2013-12-19 | — | — | WO | disclosed |
| WO-2013188381-A1 | PYRIDINONE AND PYRIDAZINONE DERIVATIVES | ABBVIE INC. (US) | 2013-12-19 | — | — | WO | disclosed |