Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28160918 | 0.80 | PARP1 (0.74) | PARP1NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL24317499 | 0.75 | KMT2A (0.38) | PARP1NPSR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL29533394 | 0.75 | KMT2A (0.38) | PARP1NPSR1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL626418 | 0.72 | GSK3B (0.46) | PARP1NPSR1KDM4EALDH1A1HPGD | |
| SCHEMBL22129197 | 0.71 | ALDH1A1 (0.53) | PARP1KDM4EALDH1A1HPGDMAPT | |
| Iodide SCHEMBL2495412 | 0.71 | GSK3B (0.45) | PARP1NPSR1KDM4EALDH1A1HPGD | |
| Pyrimidine SCHEMBL28113199 | 0.71 | PARP1 (0.74) | PARP1NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL10588088 | 0.71 | ALDH1A1 (0.50) | PARP1KDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL8518060 | 0.70 | PARP1 (0.53) | PARP1NPSR1KDM4EALDH1A1SMN1; SMN2 | |
| Styrene SCHEMBL28308344 | 0.70 | PARP1 (0.67) | PARP1NPSR1ALDH1A1SMN1; SMN2HPGD |
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-104478857-A | 2-pyridine vinyl naphthalimide fluorescent dendrimer as well as preparation method and application thereof | UNIV SOUTHEAST | 2015-04-01 | — | — | CN | disclosed |
| CN-104478857-A | 2-pyridine vinyl naphthalimide fluorescent dendrimer as well as preparation method and application thereof | UNIV SOUTHEAST | 2015-04-01 | — | — | CN | disclosed |