Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | TRPC6 | Q9Y210 | 3/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ESRRB | O95718 | 2/20 | 0.35 |
| ▸ | ESRRG | P62508 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESRRA | P11474 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29104034 | 1.00 | DRD2 (0.43) | DRD2DRD4AKR1C3NR1H2NR1H3 | |
| SCHEMBL29104020 | 0.84 | NR1H2 (0.51) | NR1H2NR1H3MAPTESRRBESRRG | |
| SCHEMBL29104088 | 0.84 | NR1H2 (0.51) | NR1H2NR1H3MAPTESRRBESRRG | |
| SCHEMBL29104051 | 0.84 | NR1H2 (0.51) | NR1H2NR1H3MAPTESRRBESRRG | |
| SCHEMBL29104082 | 0.84 | AKR1C3 (0.41) | DRD2DRD4AKR1C3MAPTTRPC6 | |
| SCHEMBL29104056 | 0.81 | MAPT (0.40) | DRD2DRD4AKR1C3MAPTTRPC6 | |
| SCHEMBL29104058 | 0.81 | MAPT (0.40) | DRD2DRD4AKR1C3MAPTTRPC6 | |
| SCHEMBL30644257 | 0.75 | ALDH1A1 (0.40) | NR1H2NR1H3MAPTTRPC6CCR1 | |
| SCHEMBL28094591 | 0.75 | AKR1C3 (0.40) | DRD2DRD4AKR1C3NR1H2NR1H3 | |
| SCHEMBL29104070 | 0.74 | MAPT (0.38) | DRD2DRD4AKR1C3MAPTSLC6A2 |
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-117003755-A | Pyrazolopyridazinone derivatives, compositions and uses thereof | 北京伯汇生物技术有限公司 | 2023-11-07 | — | — | CN | disclosed |