Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 3/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PARG | Q86W56 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28653674 | 0.81 | TYMS (0.53) | CYP1A1CYP1B1TYMS | |
| SCHEMBL28662828 | 0.78 | NPSR1 (0.60) | NPSR1PARP1MEN1KMT2APKM | |
| SCHEMBL17529466 | 0.75 | PARP1 (0.61) | NPSR1PARP1MEN1KMT2APKM | |
| SCHEMBL17529456 | 0.75 | NPSR1 (0.56) | NPSR1PARP1MEN1KMT2APKM | |
| SCHEMBL17529459 | 0.75 | MEN1 (0.57) | NPSR1PARP1MEN1KMT2APKM | |
| SCHEMBL2487811 | 0.73 | PARP1 (1.00) | NPSR1PARP1MEN1KMT2APKM | |
| SCHEMBL57038 | 0.73 | PARP1 (1.00) | NPSR1PARP1MEN1KMT2APKM | |
| Cyanide SCHEMBL29183775 | 0.71 | PARP1 (0.87) | NPSR1PARP1MEN1KMT2APKM | |
| SCHEMBL17529458 | 0.71 | NPSR1 (0.52) | NPSR1PARP1MEN1KMT2APKM | |
| SCHEMBL1566195 | 0.71 | PARP1 (0.66) | NPSR1PARP1MEN1KMT2APKM |
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-110272428-B | Visible light-operated acid-resistant fluorescent molecular switch and synthesis method thereof | 中国科学院大连化学物理研究所 | 2021-11-09 | — | — | CN | disclosed |
| CN-110272432-B | Acid-resistant light-operated fluorescent molecular switch and synthesis method and application thereof | 中国科学院大连化学物理研究所 | 2021-11-09 | — | — | CN | disclosed |