Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.95 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | TYMS | P04818 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | CASP7 | P55210 | 4/20 | 0.52 |
| ▸ | CASP1 | P29466 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | RGS12 | O14924 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL57038 | 0.98 | PARP1 (1.00) | PARP1NPSR1ALDH1A1CES2BCHE | |
| SCHEMBL2487811 | 0.98 | PARP1 (1.00) | PARP1NPSR1ALDH1A1CES2BCHE | |
| SCHEMBL29255681 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE | |
| SCHEMBL29157626 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE | |
| Hydrochloric Acid SCHEMBL5270956 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE | |
| SCHEMBL9413391 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE | |
| SCHEMBL9681519 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE | |
| SCHEMBL28640108 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE | |
| SCHEMBL29038783 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE | |
| Fluoride SCHEMBL27722646 | 0.95 | PARP1 (0.95) | PARP1NPSR1ALDH1A1CES2BCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116284819-A | N, N' -bis (glycyl) naphthalimide coordination polymer and preparation and application thereof | 华南师范大学 | 2023-06-23 | — | — | CN | claimed |
| CN-116284819-A | N, N' -bis (glycyl) naphthalimide coordination polymer and preparation and application thereof | 华南师范大学 | 2023-06-23 | — | — | CN | disclosed |